input word = C00005433

Metabolite InformationStructural formula
Name Quercetin 3-glucuronide-7-glucoside
Formula C27H28O18
Mw 640.12756409
CAS RN 96400-39-4
C_ID C00005433 ,
InChIKey FZJHCRDUXLHHKI-QMUZMBATNA-N
InChICode InChI=1S/C27H28O18/c28-6-13-15(32)17(34)20(37)26(43-13)41-8-4-11(31)14-12(5-8)42-22(7-1-2-9(29)10(30)3-7)23(16(14)33)44-27-21(38)18(35)19(36)24(45-27)25(39)40/h1-5,13,15,17-21,24,26-32,34-38H,6H2,(H,39,40)/t13-,15-,17+,18+,19+,20-,21-,24+,26-,27-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)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
PlantaeEuphorbiaceaeEuphorbia retusa Ref.
PlantaeEuphorbiaceaeEuphorbia sancae-catharinae Ref.
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