input word = C00005421

Metabolite InformationStructural formula
Name Quercetin 3-xyloside-7-glucoside
Formula C26H28O16
Mw 596.13773485
CAS RN 35972-56-1
C_ID C00005421 ,
InChIKey QOTHERNBBVJOEC-XBBKRODNNA-N
InChICode InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)39-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-25-21(36)17(32)13(31)7-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18-,20+,21-,22-,25-,26-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina encelioides Ref.
PlantaeCelastraceaeEuonymus lanceifolia Ref.
PlantaeCelastraceaeEuonymus maackii Ref.
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