HMDB0304132 RDKit 3D 3-hydroxy-eicosatrienoyl-CoA 134136 0 0 0 0 0 0 0 0999 V2000 -7.6452 -5.5266 -2.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4701 -4.2718 -2.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9015 -3.0615 -3.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -2.0409 -2.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5642 -1.9998 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -0.8471 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0637 0.1845 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7223 0.3508 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0451 1.5704 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 1.5422 -0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 0.3511 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 0.4742 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0059 -0.7860 -0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 -0.6693 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2559 -1.8864 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5432 -1.5740 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 -2.4320 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 -3.8374 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -3.9278 2.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 -4.7962 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -6.1426 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3438 -6.2417 1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -7.5341 0.0596 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -7.3273 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -6.4475 -1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7777 -6.2539 -2.3779 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -5.6701 -3.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 -5.6750 -4.4082 O 0 0 0 0 0 1 0 0 0 0 0 0 4.3930 -4.9793 -3.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 -3.5359 -4.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -2.8405 -4.7561 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5198 -2.1163 -5.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 -1.9981 -6.5734 O 0 0 0 0 0 1 0 0 0 0 0 0 2.3043 -1.4196 -6.2548 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6421 -0.2042 -6.9206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.9344 -5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -2.1024 -4.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.2740 -5.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 0.1196 -4.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 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5.7848 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3325 5.9933 5.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 3.6550 5.3834 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0910 3.3737 6.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 2.6642 4.3826 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8398 1.6041 4.9462 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 1.4896 4.5218 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6279 2.3560 3.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 2.1657 5.6931 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9872 -0.0349 4.1405 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.3484 -5.4426 -3.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7780 -5.5597 -2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2616 -6.4331 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4465 -4.4597 -3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7872 -4.2260 -1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8005 -2.9854 -4.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0869 -1.1731 -2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8972 -2.9303 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5092 -1.8602 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4888 -0.8195 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7834 0.9975 0.3825 H 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 1.6141 5.6282 0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 4.0845 2.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 2.5539 1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 1.2548 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1811 2.8801 6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5706 3.7950 4.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7602 9.5385 4.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2912 8.8777 6.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1784 8.4297 6.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0496 4.6432 5.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 3.8855 6.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 3.1717 3.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 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 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 3 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 3 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 57 58 1 0 57 59 1 0 59 60 2 0 60 61 1 0 61 62 2 0 52 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 67 70 1 0 65 50 1 0 62 53 1 0 62 56 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 19101 1 0 20102 1 0 20103 1 0 24104 1 0 24105 1 0 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 34112 1 6 35113 1 0 37114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 43122 1 0 47123 1 0 49124 1 0 49125 1 0 50126 1 6 52127 1 1 54128 1 0 58129 1 0 58130 1 0 60131 1 0 63132 1 6 64133 1 0 65134 1 6 M CHG 4 28 -1 33 -1 69 -1 70 -1 M END