HMDB0241309 RDKit 3D Tridec-3-enoylcarnitine 62 61 0 0 0 0 0 0 0 0999 V2000 10.3051 0.7179 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0044 0.4701 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9434 -0.0870 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -0.2907 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -0.8414 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 -1.0342 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 0.2346 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 0.0501 1.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 -0.4983 0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 0.4397 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0794 1.0383 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 0.8903 0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 0.3560 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3016 0.1354 -1.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 0.1134 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7156 -0.4174 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8567 -1.7627 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8256 -2.7070 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -2.6143 -0.9786 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1553 -3.8659 0.8443 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.7393 0.6048 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0267 0.6030 -0.2991 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9331 -0.2093 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1547 0.3162 -1.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6104 1.9889 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1027 0.8715 0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5412 -0.1179 -1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 1.6932 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5894 1.4133 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1506 -0.2360 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2481 -1.0207 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 0.7045 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4111 0.7602 0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8944 -0.9429 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 -1.8757 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -0.2591 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 -1.7472 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 -1.5639 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6269 0.9634 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 0.7087 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8698 -0.5760 2.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3965 1.0561 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -1.4820 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6988 -0.6874 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 0.6213 -0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 1.7341 -1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 0.2644 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 1.8917 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3466 -0.4932 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8235 -2.2462 0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8991 -1.6620 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 1.6462 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8032 0.6366 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4114 -0.6834 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4389 -0.9667 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7532 0.3864 0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2640 1.2591 -2.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0433 -0.3093 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2165 -0.1446 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5392 2.2296 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9841 2.6354 -0.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6529 1.9083 -0.5288 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 2 3 11 12 1 0 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 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 21 52 1 0 21 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 25 60 1 0 25 61 1 0 25 62 1 0 M CHG 2 20 -1 22 1 M END