input word = C00004174

Metabolite InformationStructural formula
Name Apigenin 5-(6''-malonylglucoside)
Formula C24H22O13
Mw 518.10604079
CAS RN 130733-28-7
C_ID C00004174 ,
InChIKey HAEMQOGVHIZSOW-UKUUIXKKNA-N
InChICode InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)14-7-13(27)20-15(35-14)5-12(26)6-16(20)36-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23+,24-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEquisetaceaeEquisetum arvense Ref.
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