input word = C00013784

Metabolite InformationStructural formula
Name Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
5,7-Dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-galactopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C37H38O19
Mw 786.20072904
CAS RN 284677-05-0
C_ID C00013784 ,
InChIKey ZVSLMENFANKRLA-STTLXNAPNA-N
InChICode InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)41)3-9-25(43)51-14-24-28(45)30(47)32(49)36(54-24)56-35-31(48)27(44)23(13-38)53-37(35)55-34-29(46)26-20(42)11-18(40)12-22(26)52-33(34)16-4-6-17(39)7-5-16/h2-12,23-24,27-28,30-32,35-42,44-45,47-49H,13-14H2,1H3/b9-3+/t23-,24+,27-,28+,30-,31-,32+,35+,36-,37-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis diffusa Ref.
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OrganismHedyotis diffusa
ReferenceLu,Planta Med.,66,(2000),374