HMDB0036583 RDKit 3D Methyl jasmonate 36 36 0 0 0 0 0 0 0 0999 V2000 -4.6072 2.0299 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 0.8919 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5438 -0.1554 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 -0.5148 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1148 0.1197 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 -0.9484 0.2796 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8192 -1.6105 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -1.6370 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 -2.2400 -1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 -1.5131 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0459 -0.3707 -0.3035 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0672 -0.0329 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.5280 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 0.6586 -1.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.9267 0.8342 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 1.4630 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3756 2.9416 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4166 2.1734 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6863 1.8184 0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 0.4196 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 1.2485 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 -0.6862 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3621 -1.3352 2.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 0.5332 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 0.9149 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -1.7081 1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 -2.1810 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -3.3265 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0932 -2.2175 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1703 -1.1860 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 0.4889 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 -0.9909 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 0.6156 1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 0.6734 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 2.2069 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2800 2.0024 -0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 11 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 1 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 6 12 32 1 0 12 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 M END