input word = C00051551

Metabolite InformationStructural formula
Name Methyl brevifolin carboxylate
Methyl brevifolincarboxylate
Formula C14H10O8
Mw 306.0375673
CAS RN 154702-76-8
C_ID C00051551
InChIKey JNWDNAASYHRXMG-UHFFFAOYNA-N
InChICode InChI=1S/C14H10O8/c1-21-13(19)5-3-7(16)12-9(5)8-4(14(20)22-12)2-6(15)10(17)11(8)18/h2,5,15,17-18H,3H2,1H3
SMILES COC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaePhyllanthaceaePhyllanthus urinaria Ref.
zoom in