HMDB0241209 RDKit 3D (9E)-Dodecenoylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 7.9713 0.6958 -1.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6619 0.8089 -1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 0.8879 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 0.0208 1.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6727 -1.1448 0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -1.1488 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4739 0.0442 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -0.0192 1.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -1.2177 1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9502 -1.3990 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -0.3367 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -0.1873 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.0309 1.2527 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3423 -0.2176 -0.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 -0.0873 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 -1.4696 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2545 -1.8499 -1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7817 -1.0948 -2.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8213 -3.0994 -2.0970 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4664 0.9991 -0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7732 1.2016 -0.2127 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7067 0.6498 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1408 2.6305 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1474 0.6275 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 1.4577 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8295 0.7955 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 -0.2948 -2.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 1.8152 -1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 0.0517 -1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5299 1.7431 0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 0.1956 2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 -2.0373 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 -1.3387 -0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8254 -2.1058 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -1.2221 2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 0.1330 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 0.9471 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -0.1015 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 0.9359 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -2.1315 1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 -1.2778 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 -1.6667 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3339 -2.3478 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 -0.6584 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6563 0.6336 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 0.0858 0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 -2.2056 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2318 -1.5888 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4901 0.9091 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 1.9887 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 -0.4158 -0.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3312 0.8229 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6779 1.1838 -1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1987 2.6337 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5411 3.0897 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0117 3.1284 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 0.2854 1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9480 -0.1394 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6204 1.4330 1.6587 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 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 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 15 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 20 49 1 0 20 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 24 57 1 0 24 58 1 0 24 59 1 0 M CHG 2 19 -1 21 1 M END