HMDB0241190 RDKit 3D Undeca-3,7-dienoylcarnitine 54 53 0 0 0 0 0 0 0 0999 V2000 8.7965 -1.8309 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4517 -1.2574 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2015 -0.0131 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 0.5530 0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 0.6636 -0.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 1.2140 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 0.2002 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 0.8611 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 0.3061 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 0.9652 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.0091 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -0.9267 1.7086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 0.0703 -0.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7522 -0.7840 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -1.5365 -1.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -2.3730 -1.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.4544 -0.8445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -3.1250 -2.9501 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.0052 0.0269 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4229 0.7730 0.3276 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7652 1.2934 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 -0.0598 1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 1.8849 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8069 -2.9208 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5033 -1.5405 1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1479 -1.4138 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 -2.0297 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3565 -1.0196 1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2192 -0.2518 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9693 0.7473 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6456 0.8687 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 0.3564 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5036 1.4812 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 2.1083 -0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -0.6688 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 -0.0777 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 1.7734 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 -0.5959 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 1.9050 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8462 1.2365 2.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9498 -1.5674 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 -0.8405 -2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3672 -2.2283 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -0.6597 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8224 0.7267 -1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6968 1.7707 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0541 2.0609 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4655 0.4496 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6654 0.0823 2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5761 -1.1294 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 0.2516 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 2.8321 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 2.0812 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 1.7699 1.5791 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 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 19 44 1 0 19 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 M CHG 2 18 -1 20 1 M END