input word = C00004221

Metabolite InformationStructural formula
Name Scutellarein 7-glucuronide
Scutellarin
Formula C21H18O12
Mw 462.07982604
CAS RN 27740-01-8
C_ID C00004221 ,
InChIKey DJSISFGPUUYILV-GGNWGOABNA-N
InChICode InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)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 O=C(O)C1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeLabiataeScutellaria baicalensis Ref.
PlantaeLabiataeScutellaria polyodon Ref.
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