input word = C00010164

Metabolite InformationStructural formula
Name Genistein 7-O-(2''-p-coumaroylglucoside)
Formula C30H26O12
Mw 578.1424263
CAS RN 106915-84-8
C_ID C00010164 ,
InChIKey NRJJZSQAAJJXTJ-TYEHJMJCNA-N
InChICode InChI=1S/C30H26O12/c31-13-23-27(37)28(38)29(42-24(35)10-3-15-1-6-17(32)7-2-15)30(41-23)40-19-11-21(34)25-22(12-19)39-14-20(26(25)36)16-4-8-18(33)9-5-16/h1-12,14,23,27-34,37-38H,13H2/b10-3+/t23-,27-,28+,29-,30-/m1/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(cc2)O)c(c1)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium repens Ref.
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