input word = C00013747

Metabolite InformationStructural formula
Name Kaempferol 3-rhamnosyl-(1->2)-glucosyl-(1->6)-galactoside
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 420113-08-2
C_ID C00013747 ,
InChIKey YFGCAELKAPEXJG-AIZNAVMYNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)53-30-25(44)20(39)16(8-34)50-33(30)47-9-17-21(40)24(43)27(46)32(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 CC1O[C@@H](OC2[C@H](OCC3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)[C@@H](O)[C@H]3O)OC(CO)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia marginata Ref.
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