input word = C00005213

Metabolite InformationStructural formula
Name Kaempferol 3-(3G-glucosylneohesperidoside)
Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-glucoside]
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 28140-19-4
C_ID C00005213 ,
InChIKey ZOSYTGZBPSTVGJ-BSGRAQCUNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24+,25-,26-,28+,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)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBalsaminaceaeImpatiens balsamina Ref.
PlantaeSalicaceaePopulus yunnanensis Ref.
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