input word = C00005856

Metabolite InformationStructural formula
Name Kaempferol 3-(3'',6''-di-p-coumarylglucoside)
Formula C39H32O15
Mw 740.17412036
CAS RN 162120-53-8
C_ID C00005856 ,
InChIKey NFSCOXCDAAETPI-FHKPIDODNA-N
InChICode InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+/t29-,33+,35-,37+,39-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)/C=C/c1ccc(cc1)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAerva lanata Ref.
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