input word = C00010117

Metabolite InformationStructural formula
Name Bichanin A 7-O-glucoside-6''-malonate
Biochanin A 7-O-beta-D-glucoside-6''-O-malonate
Formula C25H24O13
Mw 532.12169086
CAS RN 34232-17-2
C_ID C00010117 ,
InChIKey VRCBYTZZZFFKEN-VXIRVXPGNA-N
InChICode InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22+,23-,24+,25+/m0/s1
SMILES COc1ccc(-c2coc3cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeTrifolium spp. Ref.
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