Mrv0541 04171413532D 15 15 0 0 0 0 999 V2000 13.1100 -3.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9385 -2.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8946 -3.6274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.4969 -3.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7123 -3.6695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0448 -4.1544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3774 -3.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6323 -2.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4573 -2.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -3.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0448 -4.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3304 -5.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3304 -6.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0448 -6.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0448 -7.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 6 0 0 0 6 5 1 0 0 0 0 9 5 1 0 0 0 0 7 6 1 0 0 0 0 6 11 1 1 0 0 0 8 7 1 0 0 0 0 10 7 2 0 0 0 0 9 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 M CHG 1 3 -1 M END > CHEBI:58431 > jasmonate(1-) > A 5-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of jasmonic acid. The major species at pH 7.3. > 3 > jasmonate > {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate > C12H17O3 > 209.26210 > 209.11832 > -1 > CC\C=C/C[C@@H]1[C@@H](CC([O-])=O)CCC1=O > InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10-/m1/s1 > ZNJFBWYDHIGLCU-HWKXXFMVSA-M $$$$