HMDB0301114 RDKit 3D 3-Hydroxytrideca-6,9-dienoyl-CoA 119121 0 0 0 0 0 0 0 0999 V2000 17.4212 -0.9941 -1.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6481 0.2696 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1893 1.4936 -1.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7351 1.4846 -1.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9170 2.4050 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4721 2.3543 -1.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6666 2.2800 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 1.3080 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5336 0.1105 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1064 -0.0022 -1.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1089 -0.0651 -0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0885 1.0198 0.3153 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1771 -1.4022 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2393 -1.5575 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 -0.6890 2.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1340 -2.9158 1.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3808 -3.1000 3.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -2.0012 3.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 -1.7419 2.7194 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 -1.3557 1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 -1.1822 0.6281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -1.1381 0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -0.6617 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -0.4301 -1.1065 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 0.5229 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0088 1.2102 0.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 0.7866 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 -0.0071 -2.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7484 0.3903 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 -1.0771 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 1.2094 1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 0.6533 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 0.2578 0.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 0.5357 0.0921 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.2515 -0.8216 -0.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7459 1.5707 -1.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 1.2650 1.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3314 0.1180 2.2574 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9319 0.1987 3.7206 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9711 -1.4262 1.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9958 0.4635 2.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5433 -0.5052 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0324 -0.2861 1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6367 -0.3706 2.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8291 0.3860 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6794 -0.3595 1.2215 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6119 -1.6990 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5227 -2.1316 0.1807 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2012 -1.0531 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2505 -0.9022 -1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7962 -2.0481 -1.8099 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.7326 0.3302 -1.3525 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.1944 1.4015 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1855 1.2572 0.1655 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6768 0.0597 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2412 1.6473 1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1262 2.5672 1.0705 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3195 1.0737 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0642 1.0660 -0.7138 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3866 2.0808 -1.8840 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.2155 3.3686 -1.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5415 1.4578 -3.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8258 2.4929 -1.4601 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4654 -0.9768 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5123 -1.8378 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2758 -1.1331 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7671 0.3176 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2152 0.1366 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7606 1.6023 -2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3881 2.3929 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3344 0.6786 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2902 3.2214 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3157 1.5064 -2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2509 3.2977 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7721 3.1096 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2898 1.3637 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7473 -0.8051 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1847 0.0072 -2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0115 -0.9665 -2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 0.8407 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0865 -0.0243 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0262 1.8267 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9685 -2.2036 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2117 -1.5085 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.0690 2.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 -3.3270 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.0186 3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -2.1645 4.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -1.8554 3.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3051 -0.3819 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 -2.0882 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.4625 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4971 0.2325 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 -0.9455 -1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 1.8699 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1266 0.5557 -2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2674 -1.4673 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 -1.6354 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 -1.2272 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0534 2.1886 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 0.6560 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 1.3497 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 0.1011 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 1.7377 -0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4925 2.2200 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9433 -2.0914 2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3954 -1.5255 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0027 -0.5250 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3432 -1.1036 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2941 0.5439 3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9133 -2.3800 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8085 -2.2431 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1317 -2.7264 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6603 2.3545 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5777 2.0563 2.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3121 3.2453 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4187 1.7137 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8714 0.7925 -3.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2201 1.7148 -1.4004 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 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 50 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 45 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 63 1 0 58 43 1 0 55 46 1 0 55 49 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 27 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 36105 1 0 40106 1 0 42107 1 0 42108 1 0 43109 1 0 45110 1 0 47111 1 0 51112 1 0 51113 1 0 53114 1 0 56115 1 0 57116 1 0 58117 1 0 62118 1 0 63119 1 0 M END