Summary

Molecular formula: C21H32O5
SMILES: OC[C@H](C(O)(C)C)/C=C/[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)O1)O)C
InChI: InChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-10-21(25)16-11-18(23)26-17(16)8-9-20(15,21)4/h5-6,11,13-15,17,22,24-25H,7-10,12H2,1-4H3/b6-5+/t13-,14-,15-,17+,20-,21-/m1/s1
InChIKey: DPLUBJMWMWJWLE-NURHRALHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(CCC3CCCC23)O1

Scaffold Graph/Node level:
OC1CC2C(CCC3CCCC32)O1

Scaffold Graph level:
CC1CC2CCC3CCCC3C2C1

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Chemical classification

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

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Synonymous chemical names:
phellinignincisterol a

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External chemical identifiers:
CID_46872463; NPATLAS_NPA011529; CHEMSPIDER_78437634; ZINC_ZINC000143539464

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Chemical structure download