input word = C00013908

Metabolite InformationStructural formula
Name Quercetin 7-methyl ether 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside]
Rhamnetin 3-[3-hydroxy-3-methylglutaryl-(1->6)]-[apiosyl-(1->2)-galactoside]
3-[[2-O-D-Apio-beta-D-furanosyl-6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C33H38O20
Mw 754.19564366
CAS RN 419547-83-4
C_ID C00013908 ,
InChIKey LBWBQACKWAITFN-HLUKUQNVNA-N
InChICode InChI=1S/C33H38O20/c1-32(45,8-20(38)39)9-21(40)48-10-19-23(41)25(43)28(53-31-29(44)33(46,11-34)12-49-31)30(51-19)52-27-24(42)22-17(37)6-14(47-2)7-18(22)50-26(27)13-3-4-15(35)16(36)5-13/h3-7,19,23,25,28-31,34-37,41,43-46H,8-12H2,1-2H3,(H,38,39)/t19-,23+,25+,28-,29-,30+,31+,32+,33-/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C[C@](CC(=O)O)(O)C)O)O)O[C@H]1[C@H]([C@@](O)(CO)CO1)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus caprinus Ref.
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