[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)

C253H315F24N9O66 — CID 158021571

About [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)

[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde) (PubChem CID 158021571) has the molecular formula C253H315F24N9O66 and a molecular weight of 4994.25 g/mol. Its IUPAC name is [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde).

Molecular Properties

• Compound Name: [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)
• PubChem CID: 158021571
• Molecular Formula: C253H315F24N9O66
• Molecular Weight: 4994.25 g/mol
• Exact Mass: 4991.12
• IUPAC Name: [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)
• SMILES: CC(=O)[C@H](C)OC(=O)CCC(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CC(=O)[C@H](CCC(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)NC(=O)[C@H](C)O.CC(C)C(=O)C[C@H](C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)c1ccccc1.CC(C)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CC(C)C(=O)O[C@@H](C)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CCCC(=O)O[C@@H](CC(=O)O)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](C)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CC(C)=O)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F
• InChI: InChI=1S/C41H61NO8.C39H57NO7.C31H35NO6.C27H34N2O8.C26H31NO9.C26H31NO8.C25H31NO7.C22H27NO5.8C2HF3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(45)48-33(26-29(2)44)39(46)49-32-22-23-41(47)34-27-30-20-21-31(28-43)37-36(30)40(41,38(32)50-37)24-25-42(34)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(42)45-28(2)37(43)46-31-22-23-39(44)32-26-29-20-21-30(27-41)35-34(29)38(39,36(31)47-35)24-25-40(32)3;1-18(2)23(34)16-22(19-7-5-4-6-8-19)29(35)37-24-11-12-31(36)25-15-20-9-10-21(17-33)27-26(20)30(31,28(24)38-27)13-14-32(25)3;1-14(31)18(28-25(34)15(2)32)6-7-21(33)36-19-8-9-27(35)20-12-16-4-5-17(13-30)23-22(16)26(27,24(19)37-23)10-11-29(20)3;1-3-4-20(31)34-17(12-19(29)30)24(32)35-16-7-8-26(33)18-11-14-5-6-15(13-28)22-21(14)25(26,23(16)36-22)9-10-27(18)2;1-14(29)15(2)33-20(30)6-7-21(31)34-18-8-9-26(32)19-12-16-4-5-17(13-28)23-22(16)25(26,24(18)35-23)10-11-27(19)3;1-13(2)22(28)31-14(3)23(29)32-17-7-8-25(30)18-11-15-5-6-16(12-27)20-19(15)24(25,21(17)33-20)9-10-26(18)4;1-12(2)20(25)27-15-6-7-22(26)16-10-13-4-5-14(11-24)18-17(13)21(22,19(15)28-18)8-9-23(16)3;8*3-2(4,5)1-6/h20-22,33-34,38,43,47H,4-19,23-28H2,1-3H3;11-12,20-22,28,32,36,41,44H,4-10,13-19,23-27H2,1-3H3;4-11,18,22,25,28,33,36H,12-17H2,1-3H3;4-5,8,15,18,20,24,30,32,35H,6-7,9-13H2,1-3H3,(H,28,34);5-7,17-18,23,28,33H,3-4,8-13H2,1-2H3,(H,29,30);4-5,8,15,19,24,28,32H,6-7,9-13H2,1-3H3;5-7,13-14,18,21,27,30H,8-12H2,1-4H3;4-6,12,16,19,24,26H,7-11H2,1-3H3;8*1H/b;12-11-;;;;;;;;;;;;;;/t33-,34+,38-,40-,41+;28-,32+,36-,38-,39+;22-,25+,28-,30-,31+;15-,18-,20+,24-,26-,27+;17-,18+,23-,25-,26+;15-,19+,24-,25-,26+;14-,18+,21-,24-,25+;16-,19+,21+,22-;;;;;;;;/m00000001......../s1
• InChIKey: FGCWASLZIYEIBN-ZJMAGUDQSA-N
• XLogP: 29.47
• TPSA: 1056.81 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 73
• Rotatable Bonds: 79
• Heavy Atoms: 352
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4994.25
LogP ≤ 5	29.47
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)?

The IUPAC name of [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde) (CID 158021571) is [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde).

What is the SMILES notation for [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)?

The canonical SMILES for [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde) is CC(=O)[C@H](C)OC(=O)CCC(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CC(=O)[C@H](CCC(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)NC(=O)[C@H](C)O.CC(C)C(=O)C[C@H](C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5)c1ccccc1.CC(C)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CC(C)C(=O)O[C@@H](C)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CCCC(=O)O[C@@H](CC(=O)O)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](C)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CC(C)=O)C(=O)OC1=CC[C@@]2(O)[C@H]3Cc4ccc(CO)c5c4[C@@]2(CCN3C)[C@H]1O5.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.

What is the InChIKey of [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)?

The InChIKey is FGCWASLZIYEIBN-ZJMAGUDQSA-N. The full InChI is InChI=1S/C41H61NO8.C39H57NO7.C31H35NO6.C27H34N2O8.C26H31NO9.C26H31NO8.C25H31NO7.C22H27NO5.8C2HF3O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(45)48-33(26-29(2)44)39(46)49-32-22-23-41(47)34-27-30-20-21-31(28-43)37-36(30)40(41,38(32)50-37)24-25-42(34)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(42)45-28(2)37(43)46-31-22-23-39(44)32-26-29-20-21-30(27-41)35-34(29)38(39,36(31)47-35)24-25-40(32)3;1-18(2)23(34)16-22(19-7-5-4-6-8-19)29(35)37-24-11-12-31(36)25-15-20-9-10-21(17-33)27-26(20)30(31,28(24)38-27)13-14-32(25)3;1-14(31)18(28-25(34)15(2)32)6-7-21(33)36-19-8-9-27(35)20-12-16-4-5-17(13-30)23-22(16)26(27,24(19)37-23)10-11-29(20)3;1-3-4-20(31)34-17(12-19(29)30)24(32)35-16-7-8-26(33)18-11-14-5-6-15(13-28)22-21(14)25(26,23(16)36-22)9-10-27(18)2;1-14(29)15(2)33-20(30)6-7-21(31)34-18-8-9-26(32)19-12-16-4-5-17(13-28)23-22(16)25(26,24(18)35-23)10-11-27(19)3;1-13(2)22(28)31-14(3)23(29)32-17-7-8-25(30)18-11-15-5-6-16(12-27)20-19(15)24(25,21(17)33-20)9-10-26(18)4;1-12(2)20(25)27-15-6-7-22(26)16-10-13-4-5-14(11-24)18-17(13)21(22,19(15)28-18)8-9-23(16)3;8*3-2(4,5)1-6/h20-22,33-34,38,43,47H,4-19,23-28H2,1-3H3;11-12,20-22,28,32,36,41,44H,4-10,13-19,23-27H2,1-3H3;4-11,18,22,25,28,33,36H,12-17H2,1-3H3;4-5,8,15,18,20,24,30,32,35H,6-7,9-13H2,1-3H3,(H,28,34);5-7,17-18,23,28,33H,3-4,8-13H2,1-2H3,(H,29,30);4-5,8,15,19,24,28,32H,6-7,9-13H2,1-3H3;5-7,13-14,18,21,27,30H,8-12H2,1-4H3;4-6,12,16,19,24,26H,7-11H2,1-3H3;8*1H/b;12-11-;;;;;;;;;;;;;;/t33-,34+,38-,40-,41+;28-,32+,36-,38-,39+;22-,25+,28-,30-,31+;15-,18-,20+,24-,26-,27+;17-,18+,23-,25-,26+;15-,19+,24-,25-,26+;14-,18+,21-,24-,25+;16-,19+,21+,22-;;;;;;;;/m00000001......../s1.

What are the key properties of [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde)?

[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde) has a molecular weight of 4994.25 g/mol, XLogP of 29.47, 79 rotatable bonds, 19 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (4S)-4-[[(2S)-2-hydroxypropanoyl]amino]-5-oxohexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] (2S)-5-methyl-4-oxo-2-phenylhexanoate;[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 2-methylpropanoate;1-O-[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] 4-O-[(2S)-3-oxobutan-2-yl] butanedioate;(3S)-4-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3-butanoyloxy-4-oxobutanoic acid;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1,4-dioxopentan-2-yl] octadecanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] 2-methylpropanoate;[(2S)-1-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-1-oxopropan-2-yl] (Z)-octadec-9-enoate;octakis(2,2,2-trifluoroacetaldehyde) is sourced from PubChem (CID 158021571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).