HMDB0241763 RDKit 3D Nona-4,7-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 7.3637 -0.8340 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4060 -1.2589 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -0.3470 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 -0.7088 -1.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 -0.1681 -1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.9408 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 -0.4308 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1118 1.0435 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 1.6443 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1845 2.8465 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 0.9702 -0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 1.4896 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 1.5805 -1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 2.4730 -2.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 3.6236 -1.7907 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 2.0400 -3.4055 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3485 0.8451 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 -0.5312 1.1583 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9869 -0.6920 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 -1.4077 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 -0.9819 2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 -0.6914 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1209 -1.6243 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 0.1404 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2391 -2.2987 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9063 0.7078 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7474 -1.8152 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 -0.2829 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3532 0.8998 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 -2.0055 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -0.9512 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2781 -0.6412 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 1.5023 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 1.3642 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4927 2.5550 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5034 2.0901 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7826 0.6218 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 1.0733 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3126 1.4177 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -1.1694 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 0.2744 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6166 -1.3763 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1817 -2.4308 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -1.1472 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8388 -1.5237 1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4037 -1.9250 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 -1.2326 2.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3989 -0.2752 3.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 17 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M CHG 2 16 -1 18 1 M END