HMDB0241253 RDKit 3D 4-Hydroxydodeca-6,8-dienoylcarnitine 58 57 0 0 0 0 0 0 0 0999 V2000 5.0337 5.8677 -1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5613 4.5414 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6622 3.8875 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 3.5723 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6859 2.5191 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 1.1688 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 0.1178 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2719 -1.0135 -0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4582 -1.6468 0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -2.0137 1.4916 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -2.0379 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 -3.0618 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -2.8016 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 -3.2175 -1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -2.0422 0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7633 -1.5700 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4594 -0.0944 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 0.9214 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 2.0223 0.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6229 1.0594 -0.8761 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3773 -2.1294 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 -1.9383 1.4084 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.3851 -3.0314 2.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8415 -0.8261 2.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 -1.6082 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 6.6093 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 6.2961 -2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 5.9480 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9353 4.6714 -3.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3559 3.7834 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 4.6636 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 3.0080 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8525 4.5282 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 2.5308 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 0.5423 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 0.8023 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -1.0815 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 -1.8861 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -0.5161 1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 -2.9445 1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -2.2994 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 -1.0951 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 -4.0946 -0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1873 -3.0168 -1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -1.9061 -1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.1488 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 0.0347 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -3.2779 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 -1.8330 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2867 -2.6088 2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6675 -3.3057 2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 -3.8980 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 -1.0033 3.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -0.9137 2.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 0.1494 1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3846 -2.3858 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1768 -0.6658 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0532 -1.6289 -0.6558 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 1 0 9 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 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 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 M CHG 2 20 -1 22 1 M END