Summary
SMILES: CC(=O)OC1c2occ(c2C2OC(=O)C(=C2)CCC2[C@]1(C)O2)CInChI: InChI=1S/C17H18O6/c1-8-7-20-14-13(8)11-6-10(16(19)22-11)4-5-12-17(3,23-12)15(14)21-9(2)18/h6-7,11-12,15H,4-5H2,1-3H3/t11?,12?,15?,17-/m0/s1InChIKey: YLGLAOLTWCNDOX-ZRXXRODJSA-N
DeepSMILES: CC=O)OCcoccc5COC=O)C=C5)CCC[C@]%14C)O3))))))))))C
Scaffold Graph/Node/Bond level: O=C1OC2C=C1CCC1OC1Cc1occc12
Scaffold Graph/Node level: OC1OC2CC1CCC1OC1CC1OCCC12
Scaffold Graph level: CC1CC2CC1CCC1CC1CC1CCCC21
Functional groups: CC1=CCOC1=O; CC1O[C@@]1(C)C; COC(C)=O; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Dihydrofurans
ClassyFire Subclass: Furanones
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Germacrane sesquiterpenoids
Synonymous chemical names:zeylanicine
External chemical identifiers:CID:133562504
Chemical structure download