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 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[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia arguta Ref.
PlantaeActinidiaceaeActinidia melanandra Ref.
PlantaeRutaceaeOrixa japonica Ref.
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