HMDB0241712 RDKit 3D 6-Hydroxyoct-2-enedioylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 -4.5346 0.9725 -1.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 -0.2021 -0.9785 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4879 -1.3350 -1.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5119 -0.1105 -1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6159 -0.5627 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 0.3237 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 1.6651 1.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 1.5815 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0819 0.4857 2.6894 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 2.7418 2.6896 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4494 0.4605 0.7916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 0.0205 1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -0.5366 2.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 0.1603 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -0.2908 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 -0.1567 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 0.5195 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 0.6726 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 1.3241 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 -0.6637 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 -0.4109 -1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4603 0.7580 -1.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9213 -1.4646 -1.3377 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 0.7820 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 1.7878 -1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 1.2662 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3409 -1.5413 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 -2.2401 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9435 -1.0584 -2.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 -1.0260 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 0.8212 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7853 -0.0239 -2.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 -1.5707 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5956 -0.7363 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -0.2036 2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4162 2.3501 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 2.1658 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 0.6277 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 -0.7673 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 0.4070 2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9213 -1.1582 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 -0.0484 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 1.5635 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5649 1.3030 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 1.9843 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 -1.2167 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 -1.2852 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2832 -1.5603 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 3 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 23 48 1 0 M CHG 2 2 1 10 -1 M END