Summary
SMILES: C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@]13[C@@H]2[C@@](C)(OO1)C=C3)(C)OInChI: InChI=1S/C15H18O5/c1-8-9-4-5-14(3,17)15-7-6-13(2,19-20-15)11(15)10(9)18-12(8)16/h6-7,9-11,17H,1,4-5H2,2-3H3/t9-,10-,11-,13-,14+,15-/m0/s1InChIKey: ZTOKBJPHHAIUKE-ABVBFRSVSA-N
DeepSMILES: C=CC=O)O[C@H][C@H]5CC[C@@][C@][C@@H]7[C@@]C)OO5))C=C5)))))C)O
Scaffold Graph/Node/Bond level: C=C1C(=O)OC2C1CCCC13C=CC(OO1)C23
Scaffold Graph/Node level: CC1C(O)OC2C1CCCC13CCC(OO1)C23
Scaffold Graph level: CC1CC2C(CCCC34CCC(CC3)C24)C1C
Functional groups: C=C1CCOC1=O; CC=CC; CO; COOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene lactones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Guaiane sesquiterpenoids
Synonymous chemical names:tanaparthin-alpha-peroxide
External chemical identifiers:CID:14219461
Chemical structure download