input word = C00004200

Metabolite InformationStructural formula
Name Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Formula C25H24O13
Mw 532.12169086
CAS RN 130733-29-8
C_ID C00004200 ,
InChIKey WZEYEVDCZWOQJH-TZKHNNPWNA-N
InChICode InChI=1S/C25H24O13/c1-34-13-6-16-21(14(27)8-15(36-16)11-2-4-12(26)5-3-11)17(7-13)37-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22+,23+,24+,25-/m1/s1
SMILES COc1cc(O[C@@H]2OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum arvense Ref.
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