[(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate

C109H76O70 — CID 163106871

About [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate

[(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate (PubChem CID 163106871) has the molecular formula C109H76O70 and a molecular weight of 2505.74 g/mol. Its IUPAC name is [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate.

Molecular Properties

• Compound Name: [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate
• PubChem CID: 163106871
• Molecular Formula: C109H76O70
• Molecular Weight: 2505.74 g/mol
• Exact Mass: 2504.24
• IUPAC Name: [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate
• SMILES: O=C[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@H]1[C@@H](OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)O[C@H]1[C@@H](OC2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H]2COC(=O)c3cc(Oc4c(C(=O)O[C@H]([C@@H]5OC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)O[C@H]5C=O)[C@@H](O)COC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1
• InChI: InChI=1S/C109H76O70/c110-17-53-91(174-102(157)27-9-43(120)69(133)79(143)58(27)56-25(100(155)169-53)7-41(118)67(131)77(56)141)89(49(126)19-164-96(151)22-1-35(112)64(128)36(113)2-22)172-107(162)33-13-47(124)73(137)85(149)87(33)167-51-15-31-62(83(147)75(51)139)60-29(11-45(122)71(135)81(60)145)104(159)176-93-55(21-166-99(31)154)171-109(179-98(153)24-5-39(116)66(130)40(117)6-24)95-94(93)177-105(160)30-12-46(123)72(136)82(146)61(30)63-32(106(161)178-95)16-52(76(140)84(63)148)168-88-34(14-48(125)74(138)86(88)150)108(163)173-90(50(127)20-165-97(152)23-3-37(114)65(129)38(115)4-23)92-54(18-111)170-101(156)26-8-42(119)68(132)78(142)57(26)59-28(103(158)175-92)10-44(121)70(134)80(59)144/h1-18,49-50,53-55,89-95,109,112-150H,19-21H2/t49-,50+,53-,54-,55-,89-,90-,91+,92+,93+,94+,95+,109-/m0/s1
• InChIKey: ZGYXWTDQIOSBDH-HGKBNMIFSA-N
• XLogP: 3.50
• TPSA: 1192.70 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 70
• Rotatable Bonds: 22
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2505.74
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	70

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate?

The IUPAC name of [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate (CID 163106871) is [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate.

What is the SMILES notation for [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate?

The canonical SMILES for [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate is O=C[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@H]1[C@@H](OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)O[C@H]1[C@@H](OC2=O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H]2COC(=O)c3cc(Oc4c(C(=O)O[C@H]([C@@H]5OC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)O[C@H]5C=O)[C@@H](O)COC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1.

What is the InChIKey of [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate?

The InChIKey is ZGYXWTDQIOSBDH-HGKBNMIFSA-N. The full InChI is InChI=1S/C109H76O70/c110-17-53-91(174-102(157)27-9-43(120)69(133)79(143)58(27)56-25(100(155)169-53)7-41(118)67(131)77(56)141)89(49(126)19-164-96(151)22-1-35(112)64(128)36(113)2-22)172-107(162)33-13-47(124)73(137)85(149)87(33)167-51-15-31-62(83(147)75(51)139)60-29(11-45(122)71(135)81(60)145)104(159)176-93-55(21-166-99(31)154)171-109(179-98(153)24-5-39(116)66(130)40(117)6-24)95-94(93)177-105(160)30-12-46(123)72(136)82(146)61(30)63-32(106(161)178-95)16-52(76(140)84(63)148)168-88-34(14-48(125)74(138)86(88)150)108(163)173-90(50(127)20-165-97(152)23-3-37(114)65(129)38(115)4-23)92-54(18-111)170-101(156)26-8-42(119)68(132)78(142)57(26)59-28(103(158)175-92)10-44(121)70(134)80(59)144/h1-18,49-50,53-55,89-95,109,112-150H,19-21H2/t49-,50+,53-,54-,55-,89-,90-,91+,92+,93+,94+,95+,109-/m0/s1.

What are the key properties of [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate?

[(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate has a molecular weight of 2505.74 g/mol, XLogP of 3.50, 22 rotatable bonds, 39 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[(1R,2R,19R,20S,22S)-14-[6-[(1S,2R)-1-[(10S,11R)-11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropoxy]carbonyl-2,3,4-trihydroxyphenoxy]-7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl]oxy]-3,4,5-trihydroxybenzoate is sourced from PubChem (CID 163106871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).