input word = C00005406

Metabolite InformationStructural formula
Name Quercetin 3-xylosyl-(1->6)-glucoside
Formula C26H28O16
Mw 596.13773485
CAS RN 142905-18-8
C_ID C00005406 ,
InChIKey YNMFDPCLPIMRFD-KFFMZDEZNA-N
InChICode InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17+,18+,20-,21+,22+,25+,26-/m0/s1
SMILES O=c1c(O[C@@H]2OC(CO[C@@H]3OC[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus ladaniferus Ref.
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