input word = C00005217

Metabolite InformationStructural formula
Name Kaempferol 3-(2G-glucosylrutinoside)
Kaempferol 3-(6'''-rhamnosyl-2'''-glucosyl-glucoside)
Formula C33H40O20
Mw 756.21129372
CAS RN 55696-58-7
C_ID C00005217 ,
InChIKey VNLOLXSJMINBIS-JHXMEOJSNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23-,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeHostaceaeHosta ventricosa Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeTheaceaeCamellia oleifera Ref.
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