HMDB0241548 RDKit 3D (9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 -10.1363 -1.6778 1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5366 -1.0303 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8212 0.1327 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7175 1.3739 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8666 1.2697 1.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5008 0.9137 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3619 0.6148 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 1.5222 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3824 1.2496 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 0.0964 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1874 -1.1450 -0.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 0.0417 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 1.2268 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 1.1432 -1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6553 -0.0624 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 -0.2580 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 -1.5832 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 -1.6853 -0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 -0.6325 -0.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 0.5686 -0.9814 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3421 -1.0214 -0.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4217 -0.0848 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -0.1016 1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 -1.4395 2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 -1.7975 2.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 -2.3432 2.6856 O 0 0 0 0 0 1 0 0 0 0 0 0 7.6635 -0.5647 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8603 0.1440 -0.3539 N 0 0 0 0 0 4 0 0 0 0 0 0 9.1208 0.9366 -1.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 -0.8711 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1642 0.9903 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5531 -1.2341 2.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6382 -2.7181 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0612 -1.8684 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6459 -0.7709 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5424 -1.8359 -0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2214 0.3311 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7541 -0.2002 -0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7270 1.7993 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2634 2.1606 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3219 0.7017 2.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8762 2.3460 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5671 -0.2306 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7485 -0.2547 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0899 2.4390 -0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9111 1.9822 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 0.1612 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7451 -1.1046 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -0.1677 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -0.8699 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 1.3237 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 2.1482 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5701 1.0923 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 2.0994 -1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 -0.0633 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 -0.9721 -1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -0.2991 0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 0.5525 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 -1.5875 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3132 -2.4237 0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -1.6338 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -2.6851 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 0.8805 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0561 0.7280 2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4057 0.1379 2.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 -0.6846 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 -1.6451 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 1.0807 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6521 1.9222 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8513 0.3570 -2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0950 -1.1653 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6451 -1.7515 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8718 -0.4204 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3249 0.4605 1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 1.3948 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 1.9085 0.8508 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 2 3 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 22 63 1 0 23 64 1 0 23 65 1 0 27 66 1 0 27 67 1 0 29 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 30 72 1 0 30 73 1 0 31 74 1 0 31 75 1 0 31 76 1 0 M CHG 2 26 -1 28 1 M END