Summary
SMILES: COC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2OC)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)OInChI: InChI=1S/C23H22O13/c1-32-20-14(35-23-19(30)17(28)18(29)21(36-23)22(31)33-2)7-13-15(16(20)27)11(26)6-12(34-13)8-3-4-9(24)10(25)5-8/h3-7,17-19,21,23-25,27-30H,1-2H3/t17-,18-,19+,21-,23+/m0/s1InChIKey: VSXQXYNBFPOEGX-VLXBDIDVSA-N
DeepSMILES: COC=O)[C@H]O[C@@H]Occcoccc=O)c6cc%10OC)))O)))))cccccc6)O))O)))))))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12
Functional groups: CO; COC(C)=O; c=O; cO; cOC; cO[C@@H](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: Flavones
Synonymous chemical names:7-o-beta-d-glucuronoside,me ester-3,4,5,7-tetrahydroxy-6-methoxyflavone
External chemical identifiers:CID:158226; ZINC:ZINC000140412359
Chemical structure download