input word = C00036839

Metabolite InformationStructural formula
Name Brevifolincarboxylic acid
Formula C13H8O8
Mw 292.02191723
CAS RN 18490-95-4
C_ID C00036839 ,
InChIKey JFJWMFPFMLRLMI-UHFFFAOYNA-N
InChICode InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)/t3-/m1/s1
SMILES c12c(c(=O)oc3c1[C@@H](CC3=O)C(=O)O)cc(c(c2O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeLythraceaePunica granatum Ref.
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