input word = C00010114

Metabolite InformationStructural formula
Name Biochanin A 7-O-gentiobioside
Formula C28H32O15
Mw 608.17412036
CAS RN 63770-90-1
C_ID C00010114 ,
InChIKey BZTCEZPKCUXMNG-KYJUYFODNA-N
InChICode InChI=1S/C28H32O15/c1-38-12-4-2-11(3-5-12)14-9-39-16-7-13(6-15(30)19(16)20(14)31)41-28-26(37)24(35)22(33)18(43-28)10-40-27-25(36)23(34)21(32)17(8-29)42-27/h2-7,9,17-18,21-30,32-37H,8,10H2,1H3/t17-,18+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1
SMILES COc1ccc(-c2coc3cc(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora japonica Ref.
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