Summary

Molecular formula: C25H36O6
SMILES: CC(C1=C2[C@H]3CC=C4[C@@H]5[C@@H]([C@]3(C)CC[C@]2(CC1)C)O[C@H]1[C@]5(O)[C@H]([C@]([C@@H]4O)(O)CO1)O)C
InChI: InChI=1S/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3/t15-,17-,18-,19+,20?,21+,22-,23-,24+,25-/m1/s1
InChIKey: YUCYEVHMFBEBSC-JQSYYSEJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CC1)CCC1C2CC=C2CC3COC4OC1C2C4C3

Scaffold Graph/Node level:
C1CC2CCC3C(CCC4CC5COC6OC3C4C6C5)C2C1

Scaffold Graph level:
C1CC2CCC3C(CCC4CC5CCC6CC3C4C6C5)C2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Diterpenoids

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Synonymous chemical names:
erinacine e, erinacine f

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Chemical structure download