Summary
SMILES: OC/C=C/c1cc(OC)c2c(c1)C(C)C(O2)c1cc(OC)c2c(c1)OCO2InChI: InChI=1S/C21H22O6/c1-12-15-7-13(5-4-6-22)8-16(23-2)20(15)27-19(12)14-9-17(24-3)21-18(10-14)25-11-26-21/h4-5,7-10,12,19,22H,6,11H2,1-3H3/b5-4+InChIKey: ALMMZKOPVITQNK-SNAWJCMRSA-N
DeepSMILES: OC/C=C/cccOC))ccc6)CC)CO5)cccOC))ccc6)OCO5
Scaffold Graph/Node/Bond level: c1ccc2c(c1)CC(c1ccc3c(c1)OCO3)O2
Scaffold Graph/Node level: C1CCC2OC(C3CCC4OCOC4C3)CC2C1
Scaffold Graph level: C1CC2CCC(C3CC4CCCCC4C3)CC2C1
Functional groups: CO; c/C=C/C; c1cOCO1; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: 2-arylbenzofuran flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Lignans
NP Classifier Class: Minor lignans|Neolignans
Synonymous chemical names:fragransol d
External chemical identifiers:CID:14018337; ChEBI:175759
Chemical structure download