Summary
SMILES: OCC1OC(OCC(=C)C2Oc3c(C2)c2OC4COc5c(C4(C(=O)c2cc3)O)cc(c(c5)OC)OC)C(C(C1O)O)OInChI: InChI=1S/C29H32O13/c1-12(10-39-28-25(33)24(32)23(31)21(9-30)41-28)17-6-14-16(40-17)5-4-13-26(14)42-22-11-38-18-8-20(37-3)19(36-2)7-15(18)29(22,35)27(13)34/h4-5,7-8,17,21-25,28,30-33,35H,1,6,9-11H2,2-3H3InChIKey: MLGRWAZPBZFAGL-UHFFFAOYSA-N
DeepSMILES: OCCOCOCC=C)COccC5)cOCCOccC6C=O)c%10cc%14))))O))cccc6)OC)))OC))))))))))))))))))CCC6O))O))O
Scaffold Graph/Node/Bond level: C=C(COC1CCCCO1)C1Cc2c(ccc3c2OC2COc4ccccc4C2C3=O)O1
Scaffold Graph/Node level: CC(COC1CCCCO1)C1CC2C(CCC3C(O)C4C(COC5CCCCC54)OC23)O1
Scaffold Graph level: CC(CCC1CCCCC1)C1CC2CCC3C(C)C4C(CCC5CCCCC54)CC3C2C1
Functional groups: C=C(C)C; CO; COC(C)OC; cC(C)=O; 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: Isoflavonoids
NP Classifier Class: Rotenoids
Synonymous chemical names:dalbin
External chemical identifiers:CID:44257405
Chemical structure download