input word = C00005452

Metabolite InformationStructural formula
Name Quercetin 3-(2G-xylosylrutinoside)
Formula C32H38O20
Mw 742.19564366
CAS RN 129235-39-8
C_ID C00005452 ,
InChIKey RLTNQOUWXZXZCS-NWEVHDIVNA-N
InChICode InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17-,19+,20+,21-,23+,24+,25+,26-,29+,30-,31+,32+/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O[C@@H]3OC[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia arguta Ref.
PlantaeActinidiaceaeActinidia melanandra Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeRutaceaeOrixa japonica Ref.
zoom in



OrganismOrixa japonica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter37