HMDB0241311 RDKit 3D Tridec-8-enoylcarnitine 62 61 0 0 0 0 0 0 0 0999 V2000 7.4575 -0.4262 -1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7138 0.9240 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 0.9268 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7548 0.4306 1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 -0.9666 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 -1.4316 0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -0.6466 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 -1.1113 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 -0.3809 0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 -0.5872 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 0.1676 -0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 -0.2826 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 0.5547 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 1.4479 -0.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 0.2762 0.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8049 1.0005 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1859 1.7520 1.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4192 2.5198 1.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1528 2.8713 2.5785 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7921 2.8712 0.2950 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.9215 0.0486 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -0.7046 -0.9891 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.4183 0.2021 -2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9558 -1.3839 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6736 -1.7039 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0204 -0.4624 -2.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3788 -0.5042 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7925 -1.2496 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8924 1.6315 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6337 1.3864 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1845 1.9395 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8360 0.3089 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0773 0.5710 2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 1.0836 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1526 -1.7125 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1324 -2.5353 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7581 -0.8102 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2139 0.4267 0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 -2.1844 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -0.8600 2.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 0.6848 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8438 -0.8467 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8448 -0.1949 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 -1.6733 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.0383 -1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0614 1.2454 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -1.3461 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.1059 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 1.7211 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 2.5059 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2975 1.0954 2.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 0.6242 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1026 -0.6374 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9653 -0.1388 -2.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 0.0878 -2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7124 1.2398 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0836 -1.4473 -2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7749 -0.7380 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0148 -2.3594 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 -1.4834 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 -1.8352 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0617 -2.6897 -1.2060 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 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 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 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 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