HMDB0241444 RDKit 3D (10Z,12E)-Pentadeca-10,12-dienoylcarnitine 66 65 0 0 0 0 0 0 0 0999 V2000 9.2889 0.9965 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 0.2480 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 -1.1891 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6371 -1.9793 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2981 -1.5254 0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 -1.1333 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 0.2871 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 0.6174 1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 1.9754 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 2.1467 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 1.1132 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 1.2487 1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 0.2127 1.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 0.4120 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7256 -0.6061 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 -1.5080 1.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -0.5585 -0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -1.4601 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 -2.3306 -1.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8565 -3.2898 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9129 -2.9810 -2.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7316 -4.5476 -0.9960 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.1148 -0.8133 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6098 0.2721 -0.6142 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.0128 1.3182 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8429 -0.0267 -1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 0.9458 -1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 2.0687 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4040 0.8891 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9063 0.5552 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2412 0.4999 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6212 0.6342 -0.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6831 -1.6234 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9502 -3.0575 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8635 -2.8509 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 -1.8039 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 0.2447 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4349 0.9816 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6678 0.5814 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 -0.1924 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 2.7835 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 2.2341 2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 3.1347 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6985 2.0784 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 0.0801 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 1.3026 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0179 2.2430 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2282 1.0660 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 0.3414 2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 -0.7909 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 1.3878 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 0.3628 -0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6276 -2.1697 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -2.9243 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6051 -1.7522 -2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1024 -0.6070 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9012 -1.6336 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9464 0.9865 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2407 2.2088 -0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1739 1.5222 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5604 0.8434 -1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3888 -0.8902 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6065 -0.1233 -2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7154 0.3642 -2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2716 1.9099 -1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 1.2705 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 3 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 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 23 56 1 0 23 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 M CHG 2 22 -1 24 1 M END