input word = C00010115

Metabolite InformationStructural formula
Name Biochanin A 7-O-xylosyl-(1->6)-glucoside
Kakkanin
Formula C27H30O14
Mw 578.16355567
CAS RN 63770-91-2
C_ID C00010115 ,
InChIKey ODHKRSFJWQEWGG-YLADPVBGNA-N
InChICode InChI=1S/C27H30O14/c1-36-12-4-2-11(3-5-12)14-8-37-17-7-13(6-15(28)19(17)20(14)30)40-27-25(35)23(33)22(32)18(41-27)10-39-26-24(34)21(31)16(29)9-38-26/h2-8,16,18,21-29,31-35H,9-10H2,1H3/t16-,18+,21+,22-,23+,24+,25-,26-,27-/m1/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](CO1)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria montana var. lobata Ref.
PlantaeFabaceaePueraria thunbergiana Ref.
PlantaeFabaceaeSophora japonica Ref.
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