HMDB0241332 RDKit 3D 3-Hydroxytrideca-5,7-dienoylcarnitine 61 60 0 0 0 0 0 0 0 0999 V2000 5.5068 -2.8182 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0679 -1.3892 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9472 -0.4664 -0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 0.9496 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 1.4691 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 1.6116 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3776 1.4211 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 1.5914 2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 1.4331 1.8734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 1.0619 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 2.1735 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 2.2956 1.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9649 2.0126 -1.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 0.7865 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2142 0.5200 -2.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -0.1302 -0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8886 -1.3065 -0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -2.5271 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6749 -3.8014 -0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 -3.9736 -1.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -4.9726 -0.5513 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.0474 -1.2751 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9335 -0.1606 0.0626 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.1600 0.3182 -1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -0.5470 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4997 0.9833 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9596 -3.0945 0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 -3.5257 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 -2.8469 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9839 -1.2548 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2308 -1.2060 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 -0.7018 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 -0.7049 -1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 1.5953 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 1.0351 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 0.7273 1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 2.4537 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 1.8933 2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 1.1935 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6474 1.8706 3.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 1.5808 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 0.8548 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 0.1380 0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 3.1464 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 3.2378 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 2.9350 -1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 1.9929 -2.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 -1.3726 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 -2.4938 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -2.5337 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6698 -2.2022 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 -1.2927 1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 -0.4657 -2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 1.2602 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2321 0.5859 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9012 -0.9847 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 -1.3374 1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7318 0.2947 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4415 1.5507 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 1.7057 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 0.7063 1.7392 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 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 22 51 1 0 22 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 26 61 1 0 M CHG 2 21 -1 23 1 M END