HMDB0241345 RDKit 3D Trideca-2,4,6-trienoylcarnitine 58 57 0 0 0 0 0 0 0 0999 V2000 -8.0000 1.0901 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6916 1.6463 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5792 0.6891 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -0.0191 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0244 -0.9385 -1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1311 -1.6371 -2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -0.7505 -3.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 -0.3111 -3.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 -0.7200 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5826 -1.0511 -1.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 -0.6631 -1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8266 -0.6625 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -0.9503 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -1.7462 0.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -0.4385 -0.1055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 -0.6095 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -1.4722 0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6402 -0.7750 -1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 0.2180 -1.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7007 -1.2880 -1.8129 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5890 0.6992 1.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6448 0.7607 2.2651 N 0 0 0 0 0 4 0 0 0 0 0 0 5.4999 -0.1770 3.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 0.7539 1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5263 2.1171 2.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0005 -0.0012 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7957 1.4481 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2221 1.5118 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8049 2.1421 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3416 2.4582 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8645 -0.0756 1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7008 1.2172 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 0.7242 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.6653 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7418 -0.3445 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4874 -1.6758 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8695 -2.3767 -2.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3894 -2.1876 -1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3352 -0.3791 -4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 0.2762 -4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 0.2793 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 -1.8099 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1068 0.1422 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 0.0221 -1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -1.2605 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 -1.6368 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 -2.4474 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6733 1.1170 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 1.4518 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6796 -1.1773 3.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 0.0969 4.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 -0.0267 3.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1094 1.0123 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 -0.2488 1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 1.5024 2.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 2.3242 3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 1.9881 3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 2.8348 2.3160 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 2 3 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 3 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 12 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 M CHG 2 20 -1 22 1 M END