HMDB0031018 RDKit 3D Methyl dodecanoate 41 40 0 0 0 0 0 0 0 0999 V2000 -5.1222 2.0074 -1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 2.2355 -0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2857 0.8508 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 0.9928 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 -0.3571 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -1.1485 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6182 -2.5198 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -2.4477 0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -1.7017 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 -1.6998 0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -0.9892 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7904 0.4295 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 1.0344 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 1.1928 -0.7056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 2.5571 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8478 2.1330 -2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 0.9648 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9262 2.7222 -1.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 2.7118 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 2.7751 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0929 0.3373 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 0.2862 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2611 1.4327 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 1.6631 1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -0.2809 1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 -0.8389 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5127 -0.6212 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1228 -1.3718 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -3.1821 0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 -2.9765 -0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0327 -3.5053 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5223 -2.0263 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -0.7193 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -2.3043 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2184 -2.6955 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -1.1245 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3289 -1.4883 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 -0.9951 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 2.6425 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5719 2.8415 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 3.1832 -0.4885 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 M END