input word = C00044279

Metabolite InformationStructural formula
Name Parthenocissin B
(-)-Parthenocissin B
Formula C42H32O9
Mw 680.20463262
CAS RN 212513-36-5
C_ID C00044279 ,
InChIKey UIJJQCYTVSGVJK-BGUDXVKHNA-N
InChICode InChI=1S/C42H32O9/c43-26-6-2-22(3-7-26)40-38(24-13-28(45)17-29(46)14-24)33(34-19-32(49)20-36(50)41(34)40)11-21-1-10-37-35(12-21)39(25-15-30(47)18-31(48)16-25)42(51-37)23-4-8-27(44)9-5-23/h1-20,38-40,42-50H/b33-11-/t38-,39+,40+,42-/m0/s1
SMILES Oc1ccc([C@H]2c3c(O)cc(O)cc3/C(=Cc3ccc4c(c3)[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeParthenocissus quinquefolia Ref.
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OrganismParthenocissus quinquefolia
ReferenceTanaka,Phytochem.,48,(1998),1049