input word = C00005241

Metabolite InformationStructural formula
Name Kaempferol 3-rutinoside-7-glucuronide
Formula C33H38O21
Mw 770.19055828
CAS RN 135093-73-1
C_ID C00005241 ,
InChIKey AVISVHAJGJXBKQ-SIDXZGLTNA-N
InChICode InChI=1S/C33H38O21/c1-9-17(36)20(39)24(43)31(49-9)48-8-15-18(37)21(40)25(44)33(52-15)53-28-19(38)16-13(35)6-12(7-14(16)51-27(28)10-2-4-11(34)5-3-10)50-32-26(45)22(41)23(42)29(54-32)30(46)47/h2-7,9,15,17-18,20-26,29,31-37,39-45H,8H2,1H3,(H,46,47)/t9-,15+,17-,18+,20-,21-,22-,23-,24+,25+,26+,29-,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)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeFabaceaeVigna adenantha Ref.
PlantaeFabaceaeVigna peduncularis Ref.
PlantaeLiliaceaeTulipa gesneriana Ref.
zoom in



OrganismVigna adenantha
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Harborne,Phytochem.,4,(1965),107

Budzianowski,Phytochem.,30,(1991),1679