HMDB0301800 RDKit 3D Methyl epijasmonate 36 36 0 0 0 0 0 0 0 0999 V2000 4.2238 -0.6296 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 -1.0569 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 0.1381 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.5418 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -0.1954 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 0.6344 0.1030 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6277 0.9925 1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 2.0308 1.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 -0.2174 2.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 -1.0875 1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2934 -0.1612 0.7989 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2981 -0.8141 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 0.2065 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 0.7358 -1.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3115 0.6432 -0.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0211 1.6155 -1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -0.3862 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -1.4361 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 0.2766 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -1.7252 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5999 -1.6877 0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8075 0.7856 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 1.4892 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 -1.1844 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 -0.3716 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 1.5223 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6092 -0.7518 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3867 0.1069 3.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -1.9942 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1605 -1.3893 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 0.5438 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 -1.5206 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 -1.4031 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4632 2.3132 -0.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 2.2665 -1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 1.1698 -1.8964 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 6 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 1 12 32 1 0 12 33 1 0 16 34 1 0 16 35 1 0 16 36 1 0 M END