input word = C00005868

Metabolite InformationStructural formula
Name Kaempferol 3-(2'',4''-di-(E)-p-coumarylrhamnoside)
Formula C39H32O14
Mw 724.17920573
CAS RN 163434-73-9
C_ID C00005868 ,
InChIKey KMOHJUXDKSMQOG-ORLJHJONNA-N
InChICode InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6+,17-7+/t20-,34+,35-,38-,39-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)/C=C/c1ccc(cc1)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeArcheria traversii Ref.
PlantaeEricaceaeCyathodes empetrifolia Ref.
PlantaeEricaceaeDracophyllum spp. Ref.
PlantaeEricaceaeEpacris alpina Ref.
PlantaeEricaceaeEpacris pauciflora Ref.
PlantaeEricaceaeLeucopogon spp. Ref.
PlantaeEricaceaePentachondra pumila Ref.
PlantaeLauraceaeLaurus nobilis Ref.
PlantaeLauraceaeOcotea vellosiana Ref.
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OrganismLaurus nobilis
ReferencePower,F.B.et al.,JCS,97,(1910),231-254