HMDB0241764 RDKit 3D Nona-3,5-dienoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 7.6172 0.3299 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1209 -0.0504 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -0.9888 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8123 -0.3457 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -0.1107 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -0.4680 1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -0.2307 1.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9106 0.4120 0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3017 -0.4173 0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -1.5656 1.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 -0.0509 -0.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 -0.7833 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -1.3018 -1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0169 -2.0626 -1.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0928 -1.4777 -2.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0799 -3.4424 -1.6254 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7851 -0.3261 0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3176 0.9581 0.2880 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7602 1.9551 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 1.5279 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7161 0.8399 0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9599 1.1228 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6461 0.7479 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 -0.5438 -1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 0.8180 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 -0.6729 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 -1.2438 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2911 -1.8981 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -0.0348 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 0.3858 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -0.9673 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -0.5700 2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 1.3483 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 0.7090 -0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 -1.7611 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9513 -2.0674 -1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 -0.5662 -2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5971 -1.0782 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6618 -0.4798 1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 1.9091 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0437 2.9426 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1932 1.8808 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6066 1.4502 -1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 2.6409 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3592 1.2024 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1234 -0.0743 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 1.6879 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7216 0.7113 1.8823 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 2 3 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 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 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