input word = C00005191

Metabolite InformationStructural formula
Name Kaempferol 3-glucuronide-7-glucoside
Formula C27H28O17
Mw 624.13264947
CAS RN 96400-38-3
C_ID C00005191 ,
InChIKey GFZWQMNBKUJLDI-QMUZMBATNA-N
InChICode InChI=1S/C27H28O17/c28-7-13-15(31)17(33)20(36)26(42-13)40-10-5-11(30)14-12(6-10)41-22(8-1-3-9(29)4-2-8)23(16(14)32)43-27-21(37)18(34)19(35)24(44-27)25(38)39/h1-6,13,15,17-21,24,26-31,33-37H,7H2,(H,38,39)/t13-,15+,17-,18-,19-,20+,21+,24-,26+,27+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia sanctae-catharinae Ref.
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