Summary
SMILES: OCC1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2ccc(cc2)OC)C([C@H]([C@@H]1O)O)OInChI: InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)12-9-32-13-7-14(22(31-2)19(27)16(13)17(12)25)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15?,18-,20+,21?,23-/m1/s1InChIKey: XKNZYDKRYPYTHS-ZVIVNLKOSA-N
DeepSMILES: OCCO[C@@H]Occcoccc=O)c6cc%10OC)))O))))cccccc6))OC)))))))))))))C[C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: O=c1c(-c2ccccc2)coc2cc(OC3CCCCO3)ccc12
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CC(OC3CCCCO3)CCC21
Scaffold Graph level: CC1C(C2CCCCC2)CCC2CC(CC3CCCCC3)CCC21
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:irisolidone-7-o-glucoside
External chemical identifiers:CID:44257344
Chemical structure download