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 CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5OC(C(=O)O)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeFabaceaeVigna adenantha Ref.
PlantaeFabaceaeVigna peduncularis Ref.
PlantaeLiliaceaeTulipa gesneriana Ref.
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