input word = C00013749

Metabolite InformationStructural formula
Name Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
3-[(O-beta-D-Glucopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 188825-70-9
C_ID C00013749 ,
InChIKey ZWFVUQAVPVQNKO-SKCFJUHKNA-N
InChICode InChI=1S/C33H40O20/c1-10-27(51-32-25(45)22(42)19(39)16(8-34)49-32)24(44)26(46)31(47-10)53-30-23(43)20(40)17(9-35)50-33(30)52-29-21(41)18-14(38)6-13(37)7-15(18)48-28(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-20,22-27,30-40,42-46H,8-9H2,1H3/t10-,16-,17-,19+,20+,22?,23-,24-,25+,26-,27-,30+,31-,32-,33-/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)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium neapolitanum Ref.
PlantaeCaryophyllaceaeDianthus caryophyllus Ref.
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