Summary
SMILES: OCC1OC(Oc2cc(C=Cc3ccc(cc3)OC)cc(c2)O)C(C(C1O)O)OInChI: InChI=1S/C21H24O8/c1-27-15-6-4-12(5-7-15)2-3-13-8-14(23)10-16(9-13)28-21-20(26)19(25)18(24)17(11-22)29-21/h2-10,17-26H,11H2,1H3InChIKey: MFMQRDLLSRLUJY-UHFFFAOYSA-N
DeepSMILES: OCCOCOcccC=Ccccccc6))OC))))))))ccc6)O)))))))CCC6O))O))O
Scaffold Graph/Node/Bond level: C(=Cc1cccc(OC2CCCCO2)c1)c1ccccc1
Scaffold Graph/Node level: C1CCC(CCC2CCCC(OC3CCCCO3)C2)CC1
Scaffold Graph level: C1CCC(CCC2CCCC(CC3CCCCC3)C2)CC1
Functional groups: CO; cC=Cc; cO; cOC; cOC(C)OC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Stilbenes
ClassyFire Subclass: Stilbene glycosides
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Stilbenoids
NP Classifier Class: Monomeric stilbenes
Synonymous chemical names:desoxyrhaponticin
External chemical identifiers:CID:4430533
Chemical structure download