input word = C00004257

Metabolite InformationStructural formula
Name 5,6,7,2'-Tetrahydroxyflavone 7-glucuronide
Formula C21H18O12
Mw 462.07982604
CAS RN 119152-49-7
C_ID C00004257 ,
InChIKey ARCCSELFQKSKDR-GGNWGOABNA-N
InChICode InChI=1S/C21H18O12/c22-8-4-2-1-3-7(8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1c(cccc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria ikonnikovii Ref.
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