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 O(c1cc2c(c(=O)c(co2)c2ccc(cc2)OC)c(c1)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora japonica Ref.
zoom in