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.
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OrganismPhaseolus vulgaris
Referencehttps://doi.org/10.1021/JF980687V

https://doi.org/10.1179/135100099101534800