input word = C00029826

Metabolite InformationStructural formula
Name Bidenlignaside A
Formula C26H32O12
Mw 536.18937649
CAS RN 501121-33-1
C_ID C00029826 ,
InChIKey SWUYIHFWXBMJBL-KGFHMNKWNA-N
InChICode InChI=1S/C26H32O12/c1-35-19-10-14(5-6-16(19)29)17(30)11-18(31)15-8-13(4-3-7-27)9-20(36-2)25(15)38-26-24(34)23(33)22(32)21(12-28)37-26/h3-6,8-10,18,21-24,26-29,31-34H,7,11-12H2,1-2H3/b4-3+/t18-,21+,22+,23-,24+,26-/m0/s1
SMILES COc1cc(C(=O)CC(O)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens parviflora WILLD. Ref.
zoom in