input word = C00057563

Metabolite InformationStructural formula
Name Quercetin 3-glucoside 7-xyloside
Formula C26H28O16
Mw 596.13773485
CAS RN 79592-61-3
C_ID C00057563
InChIKey JURCVZRTMDHGAP-IHEAPHKCSA-N
InChICode InChI=1S/C26H28O15/c27-7-16-19(33)20(34)22(36)26(40-16)41-24-17(31)11-3-2-10(38-25-21(35)18(32)14(30)8-37-25)6-15(11)39-23(24)9-1-4-12(28)13(29)5-9/h1-6,14,16,18-22,25-30,32-36H,7-8H2/t14-,16-,18+,19-,20+,21-,22-,25?,26+/m1/s1
SMILES OC1=CC=C(C(OC2=C3C=CC(OC4OC[C@@H](O)[C@H](O)[C@H]4O)=C2)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C3=O)C=C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeFragaria sp. Ref.
PlantaeRosaceaeRubus spp. Ref.
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