Summary

Molecular formula: C25H36O6
SMILES: O=CC1=CC[C@H]2[C@@]([C@@H]3[C@@H]1O[C@H]1[C@H](O3)OC[C@H]([C@@H]1O)O)(C)CC[C@@]1(C2=C(CC1)C(C)C)C
InChI: InChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1
InChIKey: BEECYWPPXWUPIT-ZCKYJUNOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2OC3CCCOC3OC2C2CCC3CCC=C3C2C1

Scaffold Graph/Node level:
C1COC2OC3C(CCCC4C5CCCC5CCC43)OC2C1

Scaffold Graph level:
C1CCC2CC3C(CCCC4C5CCCC5CCC34)CC2C1

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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 b

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External chemical identifiers:
CID_9980261; NPATLAS_NPA011026; CHEMSPIDER_8155853; ZINC_ZINC000070454041

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Chemical structure download