Summary

SMILES: OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChIKey: DJSISFGPUUYILV-ZFORQUDYSA-N
DeepSMILES: OC=O)[C@H]O[C@@H]Occcoccc=O)c6cc%10O))O)))))cccccc6))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: CC(=O)O; CO; cO[C@@H](C)OC; coc; c=O; cO

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketides
ClassyFire Class: Flavonoids
ClassyFire Subclass: Flavonoid glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones

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Synonymous chemical names:
scutellarin, Scutellarein-7-glucuronide, Scutellarin, 7-o-glucuronides ofscutellarein, scutellarein 7-glucuronide, scutellarein-7-glucuronide, scutellarin (glucuronide)

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External chemical identifiers:
CID:CID_185617; ChEMBL:CHEMBL487805; ChEBI:CHEBI:61278; ZINC:ZINC000021992916; FDASRS:16IGP0ML9A; SureChEMBL:SCHEMBL4211849; MolPort-001-740-714

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Chemical structure download