input word = C00014335

Metabolite InformationStructural formula
Name (2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide
Formula C21H20O12
Mw 464.09547611
CAS RN 125535-06-0
C_ID C00014335 ,
InChIKey YSORAXGDTRAEMV-VMKHMCEUNA-N
InChICode InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)/t13-,16-,17-,18+,19-,21+/m0/s1
SMILES O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)cc(O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChrysanthemum indicum Ref.
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