HMDB0241216 RDKit 3D 3-Dodecenoylcarnitine 59 58 0 0 0 0 0 0 0 0999 V2000 8.4697 1.1354 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 1.5121 0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 0.2802 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 0.6454 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9003 -0.5609 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 -1.0648 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4255 -0.0447 -1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 0.3655 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -0.7813 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 -0.7881 -2.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.9245 -2.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 -1.3877 -1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 -1.0178 -2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 -1.2867 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 -0.7742 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7128 -1.8337 0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8598 -3.1344 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4393 -3.2865 -1.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4656 -4.1957 0.5701 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8677 0.5217 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0683 1.1828 0.9484 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6467 0.7655 2.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7006 2.6129 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1023 1.2035 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6048 0.0583 0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 1.3933 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1368 1.6881 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 2.3634 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9779 1.7142 2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2914 0.0146 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -0.5300 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 0.8678 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 1.5532 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -0.3236 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2122 -1.3504 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2557 -1.9522 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9301 -1.4624 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -0.4839 -2.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 0.8434 -1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9568 0.9230 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 1.1119 -1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 -1.6116 -0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1007 0.0459 -2.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -2.7681 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 -2.2933 -3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5256 -0.5763 -1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6737 -1.5160 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -2.0588 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 1.2056 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 0.3592 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9724 0.0467 2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6884 0.3881 2.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 1.6370 2.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1975 2.9000 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6048 3.2245 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9873 2.7570 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 1.6017 0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7779 1.9041 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2633 0.1815 -0.4453 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 2 3 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 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 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