input word = C00005457

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->4)-xylosyl-(1->4)-rhamnoside
Formula C32H38O20
Mw 742.19564366
CAS RN 146441-37-4
C_ID C00005457 ,
InChIKey FKELMIKQOPFRAX-JDZJUCODNA-N
InChICode InChI=1S/C32H38O20/c1-9-27(51-30-24(43)20(39)17(8-46-30)50-32-25(44)22(41)19(38)16(7-33)49-32)23(42)26(45)31(47-9)52-29-21(40)18-14(37)5-11(34)6-15(18)48-28(29)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-20,22-27,30-39,41-45H,7-8H2,1H3/t9-,16+,17-,19+,20-,22-,23-,24-,25+,26-,27-,30-,31-,32-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuglandaceaeEngelhardia colebrookiana Ref.
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