Summary
SMILES: C/C/1=C/CCC2=C[C@H]([C@H]3[C@H](C1)OC(=O)C3=C)OC2=OInChI: InChI=1S/C15H16O4/c1-8-4-3-5-10-7-12(19-15(10)17)13-9(2)14(16)18-11(13)6-8/h4,7,11-13H,2-3,5-6H2,1H3/b8-4-/t11-,12+,13+/m0/s1InChIKey: VCMZMMIHEOEXSR-YIKYYIFRSA-N
DeepSMILES: C/C=C/CCC=C[C@H][C@H][C@H]C%10)OC=O)C5=C))))))OC5=O
Scaffold Graph/Node/Bond level: C=C1C(=O)OC2CC=CCCC3=CC(OC3=O)C12
Scaffold Graph/Node level: CC1C(O)OC2CCCCCC3CC(OC3O)C21
Scaffold Graph level: CC1CC2CC1CCCCCC1CC(C)C(C)C12
Functional groups: C/C=C(C)C; C=C1CCOC1=O; CC1=CCOC1=O
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: Germacrane sesquiterpenoids
Synonymous chemical names:isabelin
External chemical identifiers:CID:15559771; ZINC:ZINC000238777653
Chemical structure download