input word = C00019472

Metabolite InformationStructural formula
Name Judaicin 7-O-(6''-O-malonylglucoside)
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflav-3-ene 7-O-(6''-malonylglucoside)
Formula C26H26O13
Mw 546.13734092
CAS RN 182012-06-2
C_ID C00019472 ,
InChIKey JYNIESIWCLHXGN-KNVZOJRMNA-N
InChICode InChI=1S/C26H26O13/c1-33-17-7-19-18(36-11-37-19)6-15(17)13-4-12-2-3-14(5-16(12)34-9-13)38-26-25(32)24(31)23(30)20(39-26)10-35-22(29)8-21(27)28/h2-7,20,23-26,30-32H,8-11H2,1H3,(H,27,28)/t20-,23-,24+,25-,26-/m1/s1
SMILES COc1cc2c(cc1C1=Cc3ccc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)cc3OC1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCicer judaicum Ref.
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