Summary
SMILES: OCC1OC(OCCc2ccc(c(c2)O)O)C(C(C1O)OC1OC(C)C(C(C1O)O)O)OInChI: InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3InChIKey: DORPKYRPJIIARM-UHFFFAOYSA-N
DeepSMILES: OCCOCOCCcccccc6)O))O))))))))CCC6O))OCOCC)CCC6O))O))O)))))))O
Scaffold Graph/Node/Bond level: c1ccc(CCOC2CC(OC3CCCCO3)CCO2)cc1
Scaffold Graph/Node level: C1CCC(CCOC2CC(OC3CCCCO3)CCO2)CC1
Scaffold Graph level: C1CCC(CCCC2CCCC(CC3CCCCC3)C2)CC1
Functional groups: CO; COC(C)OC; cO
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenylethanoids (C6-C2)
NP Classifier Class: Phenylethanoids
Synonymous chemical names:decaffeoyl acteoside
External chemical identifiers:CID:13889681
Chemical structure download