HMDB0241234 RDKit 3D (4E)-3-Hydroxydodec-4-enedioylcarnitine 60 59 0 0 0 0 0 0 0 0999 V2000 -6.0715 -1.1792 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8346 -0.7407 -0.6030 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.3851 0.1843 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 -1.9512 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 -0.2159 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5443 -0.0332 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 1.0088 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 0.9530 -2.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -0.0659 -2.7495 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 2.1505 -2.8415 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.1148 0.4753 1.5677 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -0.2015 2.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -1.2859 1.8555 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7281 0.2573 3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 -0.6991 4.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 -0.2553 5.4932 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -0.7974 3.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7884 0.0840 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 -0.0674 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.1984 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -0.3598 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 0.8297 -0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9065 0.5740 -1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5426 0.3909 -2.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 1.5993 -3.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7623 2.6195 -2.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 1.6161 -4.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6834 -1.8498 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4549 -0.2668 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7626 -1.6767 -0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2071 -0.0958 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5101 0.2526 -1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0564 1.2347 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 -1.8210 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9992 -2.8431 -0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -2.1247 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -0.8125 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 0.7904 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 -0.9926 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 1.1529 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 2.0189 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 0.2865 4.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 1.2928 3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1546 -1.6850 4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 0.7041 5.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 -1.6305 3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1608 0.9348 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -0.9279 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 0.8619 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9869 -1.1093 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 0.6431 -0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -1.3072 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 -0.4109 -1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 0.8473 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 1.7716 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -0.3401 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6614 1.4003 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4936 0.1571 -3.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 -0.5200 -3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 1.3729 -5.5879 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 1 0 15 16 1 0 15 17 1 0 17 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 27 60 1 0 M CHG 2 2 1 10 -1 M END