HMDB0241545 RDKit 3D (12Z,15Z)-10-Hydroxyoctadeca-12,15-dienoylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 9.4436 -1.2923 2.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0621 -0.5764 1.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6871 -1.0066 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 -1.5711 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -2.0157 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 -1.2800 -1.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8033 -0.4992 -1.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 0.1921 -3.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 1.6874 -2.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7762 2.0871 -2.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 2.1333 -1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 1.7126 -2.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 2.1502 -1.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 1.5689 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 2.0091 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 1.5766 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 0.0853 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 -0.2736 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9084 0.1963 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2996 1.3811 -0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 -0.6313 0.9806 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5468 -0.2344 1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1028 -0.3061 3.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2045 0.1171 4.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0265 -0.7282 4.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3916 1.4389 4.5825 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.6769 -1.2158 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1915 -1.2545 0.3097 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.5296 -1.8623 0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3468 0.0376 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4071 -2.0801 -0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3173 -0.7630 3.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7004 -2.3505 2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5623 -1.2901 3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 0.5204 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7877 -0.8290 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 -0.8409 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3674 -1.7292 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1449 -3.0993 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3771 -1.7458 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5557 -1.4221 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 -0.3696 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4464 -0.0374 -3.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 -0.1906 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 2.1464 -3.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 2.0790 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 1.6078 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 3.2315 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 2.2014 -3.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1551 0.5949 -2.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 2.0345 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 3.2696 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1276 0.4638 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 1.9096 0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 3.1148 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 1.6405 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1852 1.9600 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6505 2.0460 -1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 -0.3386 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 -0.3917 0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.1231 -1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8499 -1.3933 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8394 0.8248 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7728 -1.3611 3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2405 0.3845 3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 -1.0857 2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2475 -2.2239 1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0255 -1.6164 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 -1.4827 1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3563 -2.9617 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3081 0.0308 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5714 0.2394 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4466 0.8683 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8229 -1.4964 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6995 -2.7138 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0763 -2.7962 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 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 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 11 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