input word = C00004185

Metabolite InformationStructural formula
Name Apigenin 7-(2'',6''-di-p-coumarylglucoside)
Formula C39H32O14
Mw 724.17920573
CAS RN 87562-08-1
C_ID C00004185 ,
InChIKey GBBLNEWSFXZKJC-JUPZVSBUNA-N
InChICode InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-36(47)37(48)38(53-34(46)16-6-22-3-11-25(41)12-4-22)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37+,38-,39-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)OC(=O)/C=C/c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAnisomeles ovata Ref.
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