input word = C00013843

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->2)-glucuronide
Formula C27H28O18
Mw 640.12756409
CAS RN
C_ID C00013843 ,
InChIKey FVVVGDCTTQXNDY-XLHQNYEFNA-N
InChICode InChI=1S/C27H28O18/c28-6-13-15(33)17(35)20(38)26(42-13)45-24-19(37)18(36)23(25(39)40)44-27(24)43-22-16(34)14-11(32)4-8(29)5-12(14)41-21(22)7-1-2-9(30)10(31)3-7/h1-5,13,15,17-20,23-24,26-33,35-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,23-,24+,26+,27-/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeCordia macleodii Ref.
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