input word = C00052901

Metabolite InformationStructural formula
Name Ethyl brevifolincarboxylate
Formula C15H12O8
Mw 320.05321736
CAS RN 107646-82-2
C_ID C00052901
InChIKey JSEPSLOCPQODTM-UHFFFAOYSA-N
InChICode InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3
SMILES CCOC(=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.
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