Summary
SMILES: OCC1O[C@@H](Oc2cc(OC)cc3c2c(=O)c(co3)c2ccc(cc2)O)C([C@H]([C@@H]1O)O)OInChI: InChI=1S/C22H22O10/c1-29-12-6-14-17(18(25)13(9-30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16?,19-,20+,21?,22-/m1/s1InChIKey: AJAGLPDYKVWJQE-AKJGCJRBSA-N
DeepSMILES: OCCO[C@@H]OcccOC))ccc6c=O)cco6))cccccc6))O))))))))))))))C[C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=c1c(-c2ccccc2)coc2cccc(OC3CCCCO3)c12
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CCCC(OC3CCCCO3)C21
Scaffold Graph level: CC1C(C2CCCCC2)CCC2CCCC(CC3CCCCC3)C21
Functional groups: CO; c=O; cO; cOC; cO[C@@H](C)OC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Isoflavonoid O-glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Isoflavones
Synonymous chemical names:prunetinoside
External chemical identifiers:CID:44257332
Chemical structure download