Summary
SMILES: Oc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(C)C(C(C1O)O)O)c1cc(O)c(c(c1)O)OInChI: InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3InChIKey: DCYOADKBABEMIQ-UHFFFAOYSA-N
DeepSMILES: OcccO)ccc6)occc6=O))OCOCC)CCC6O))O))O)))))))cccO)ccc6)O))O
Scaffold Graph/Node/Bond level: O=c1c(OC2CCCCO2)c(-c2ccccc2)oc2ccccc12
Scaffold Graph/Node level: OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1
Scaffold Graph level: CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1
Functional groups: CO; c=O; cO; cOC(C)OC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavonoid glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavonols
Synonymous chemical names:myricetin-3-o-l-rhamnoside, myricetin-3-rhamnoside
External chemical identifiers:CID:5352000; ChEMBL:CHEMBL1599224; SureChEMBL:SCHEMBL22788153
Chemical structure download