input word = C00004216

Metabolite InformationStructural formula
Name Scutellarein 5-glucuronide
Formula C21H18O12
Mw 462.07982604
CAS RN 22740-02-9
C_ID C00004216 ,
InChIKey UHZMYIODMYOCOG-LSTNJCEPNA-N
InChICode InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)11-5-9(23)13-12(31-11)6-10(24)14(25)18(13)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21-22,24-28H,(H,29,30)/t15-,16-,17+,19-,21+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2c(O)c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea depressa Ref.
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