input word = C00029827

Metabolite InformationStructural formula
Name Bidenlignaside B
Formula C26H34O12
Mw 538.20502655
CAS RN 914616-01-6
C_ID C00029827 ,
InChIKey XSWHADNOBPLVSA-HLTUFTHONA-N
InChICode InChI=1S/C26H34O12/c1-35-19-10-14(5-6-16(19)28)17(29)11-18(30)15-8-13(9-20(36-2)22(15)31)4-3-7-37-26-25(34)24(33)23(32)21(12-27)38-26/h3-6,8-10,17-18,21,23-34H,7,11-12H2,1-2H3/b4-3+/t17-,18-,21+,23+,24-,25+,26+/m0/s1
SMILES COc1cc(C(O)CC(O)c2cc(/C=C/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens parviflora WILLD. Ref.
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OrganismBidens parviflora WILLD.
ReferenceWang,Chem.Pharm.Bull.,54,(2006),1190