HMDB0031740 RDKit 3D Methyl dihydrojasmonate 38 38 0 0 0 0 0 0 0 0999 V2000 4.3426 0.6042 -0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 1.8370 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0428 1.4375 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0283 0.7803 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6867 0.3427 1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 -0.6392 0.4847 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6032 -1.9521 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 -2.3202 0.6677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -2.7340 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7146 -2.2157 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -1.0765 1.0727 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4024 -0.0420 1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 0.5388 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 1.0617 -0.9327 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 0.5320 -0.5005 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5422 1.0963 -1.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 0.7197 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 0.4569 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 -0.3083 -1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 2.5074 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 2.3677 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 2.3640 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 0.7213 -1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3282 1.6077 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 0.0288 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 1.2632 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -0.0124 2.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.2303 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 -2.4553 -1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -3.8307 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 -1.8157 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -3.0481 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -1.5784 2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9804 0.7923 1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2834 -0.4623 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6687 1.1031 -1.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 2.0962 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1574 0.4624 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 6 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 1 12 34 1 0 12 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 M END