HMDB0301144 RDKit 3D 3,12-Dihydroxytetradecanoyl-CoA 127129 0 0 0 0 0 0 0 0999 V2000 -14.2135 -3.4560 1.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4970 -3.1475 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6915 -1.6548 -0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7714 -1.2472 0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0480 -1.3136 -1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9895 -1.7352 -2.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6882 -1.0675 -2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8253 0.4183 -2.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4806 1.0758 -1.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9599 0.7418 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6277 1.4757 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5992 1.0745 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3222 1.8134 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5064 3.1885 -1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4592 1.3256 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 1.3184 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2378 0.1579 1.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 2.6320 2.3844 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5649 4.1987 2.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1868 4.4592 2.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 3.6447 2.0526 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 3.9589 2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 4.9543 3.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 3.1175 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 3.7554 2.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 2.9985 1.9597 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 1.6841 2.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 1.0613 3.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3285 1.0157 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 1.8507 0.8861 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 -0.3316 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5191 -1.3243 2.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -0.1951 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -0.9368 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -0.1565 -0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3678 -0.7250 -0.9566 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9789 -1.4472 -2.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 0.5439 -1.3715 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 -1.8258 -0.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 -2.8455 -0.9946 P 0 0 0 0 0 5 0 0 0 0 0 0 6.4683 -3.2254 -2.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4426 -4.2650 -0.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6594 -2.1976 -1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 -1.7993 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7475 -1.2195 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4979 -0.8187 0.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8164 -1.1062 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7278 -0.0198 0.4054 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5149 1.1944 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6790 1.8631 0.9628 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6491 1.0585 0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0083 1.1817 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6692 2.3879 0.6401 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7227 0.1649 -0.2262 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1352 -1.0034 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8111 -1.1031 -0.3782 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0574 -0.1182 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9752 -1.6132 -1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2259 -0.5409 -2.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5864 -2.1513 -1.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4603 -3.4864 -1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1741 -4.4720 -2.5442 P 0 0 0 0 0 5 0 0 0 0 0 0 12.0164 -5.7510 -2.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3937 -3.6840 -4.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5617 -4.9776 -2.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6627 -4.4557 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6986 -2.7389 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1148 -3.5533 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3852 -3.7095 -0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6073 -3.4864 -0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7903 -1.1494 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5658 -0.9786 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2216 -0.2403 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0221 -1.8270 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3068 -1.3976 -3.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8752 -2.8386 -2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9445 -1.3807 -2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2586 -1.4205 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5411 0.8399 -1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1445 0.7561 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5585 2.1600 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7927 0.6602 -2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6772 1.0397 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7457 -0.3230 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8123 2.5845 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3313 1.3028 0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9457 1.2912 -2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3739 -0.0176 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7339 1.5830 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2505 3.3492 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5071 1.9332 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0877 0.2768 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6573 4.4736 0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2218 4.9983 2.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9529 5.5413 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 4.4947 3.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 2.8432 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 2.1415 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7395 3.0470 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 4.8059 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3878 3.8736 3.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4395 3.4797 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0607 0.9834 2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 2.6308 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 -2.3446 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 -1.3242 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -1.2468 3.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -0.6678 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 0.8475 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 -0.7267 -0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 -1.1200 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 -1.9270 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 1.0628 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6652 -3.9930 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8366 -1.0231 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -2.6552 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5512 -0.3063 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0929 -1.9138 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5724 1.5804 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7438 3.1217 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0706 2.5670 1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7195 -1.8325 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7683 -2.3395 -1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3449 0.3154 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 -2.0024 -2.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3709 -3.4419 -4.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4775 -5.5556 -1.6941 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 52 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 47 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 62 65 1 0 60 45 1 0 57 48 1 0 57 51 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 25101 1 0 26102 1 0 29103 1 0 30104 1 0 32105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 38113 1 0 42114 1 0 44115 1 0 44116 1 0 45117 1 0 47118 1 0 49119 1 0 53120 1 0 53121 1 0 55122 1 0 58123 1 0 59124 1 0 60125 1 0 64126 1 0 65127 1 0 M END