input word = C00004246

Metabolite InformationStructural formula
Name Isoscutellarein 8-glucuronide
Formula C21H18O12
Mw 462.07982604
CAS RN 56317-09-0
C_ID C00004246 ,
InChIKey FBDUYUDFMFZSDJ-FQMAOTMYNA-N
InChICode InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)17(18(13)31-12)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-23,25-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
SMILES O=C(O)C1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMarchantiaceaeMarchantia berteroana Ref.
zoom in