HMDB0301037 RDKit 3D 3-Hydroxydodeca-5,7-dienoyl-CoA 116118 0 0 0 0 0 0 0 0999 V2000 16.9921 1.1979 1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4119 0.6292 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1322 -0.8300 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1620 -1.1698 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7741 -0.8454 1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9431 -0.3544 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1329 0.0881 -1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3339 0.5966 -1.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9511 0.9540 -2.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0919 0.8339 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5490 1.6639 0.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 1.3840 -1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 0.5680 -2.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 1.0059 -3.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3802 -0.9684 -2.1667 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9525 -1.3425 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 -0.5350 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6130 -0.7937 -0.7981 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -0.1536 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 0.6315 0.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -0.4199 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 0.2745 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 0.0490 -1.4819 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -1.2496 -1.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 -2.2298 -1.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9473 -1.4730 -2.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 -2.8444 -2.8668 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2336 -1.2118 -1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -2.1904 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4228 -1.4857 -2.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2601 0.2014 -1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 0.3962 -0.5682 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 1.9459 0.0542 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.4087 2.2958 0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8372 3.0297 -1.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9662 1.9830 1.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6726 0.8670 2.3245 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4941 -0.0302 1.9801 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3029 1.6940 3.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0369 -0.1008 2.4939 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2229 0.6213 2.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3600 -0.3655 2.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5858 0.2932 2.6523 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5551 -0.6773 2.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6455 -0.0950 1.6595 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3484 -0.6148 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2874 0.2652 0.2056 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.1939 1.3576 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9297 2.5264 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9602 2.6712 -0.0621 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6145 3.4873 1.7894 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6186 3.2806 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9067 2.1278 2.7152 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1850 1.1461 1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9348 -1.8108 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7709 -2.8930 2.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5058 -1.2926 1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6022 -2.3239 1.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8343 -2.3243 -0.0789 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.6027 -3.2034 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3665 -0.7697 -0.4999 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8892 -2.9901 -1.2407 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1423 1.5521 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6580 2.0328 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5987 0.4123 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2494 0.6953 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 1.2546 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9193 -1.3177 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1755 -1.2678 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5618 -0.8272 2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2011 -2.3314 1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2246 -1.1088 2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8938 -0.3299 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1817 -0.0732 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8880 0.8262 -3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 0.2572 -2.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8336 1.9932 -2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9421 -0.1731 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 2.6116 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0514 1.3243 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8869 2.4428 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 -1.1317 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6841 -2.4245 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -0.8432 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9694 0.5444 0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -1.4386 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 -1.4951 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3754 0.0698 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2058 1.3650 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -0.0712 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 0.8702 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -0.9059 -3.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 -3.2272 -2.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2771 -3.2241 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 -2.0370 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 -2.0225 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -1.8854 -3.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 -2.2165 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0496 -0.5803 -2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 0.3633 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 0.9688 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9164 3.9548 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9305 1.0301 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2328 1.2540 3.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3413 1.2710 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1997 -0.9937 3.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9925 -1.0470 3.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2376 -1.5713 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9429 2.4647 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7573 2.9827 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4118 4.0873 3.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4019 -2.1320 0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6711 -3.1783 2.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4884 -0.6863 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4829 -0.5511 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4686 -2.2571 -1.6161 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 1 0 5 6 2 3 6 7 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 37 40 1 0 40 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 2 0 47 48 1 0 48 49 2 0 49 50 1 0 49 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 44 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 59 62 1 0 57 42 1 0 54 45 1 0 54 48 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 23 91 1 0 26 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 35102 1 0 39103 1 0 41104 1 0 41105 1 0 42106 1 0 44107 1 0 46108 1 0 50109 1 0 50110 1 0 52111 1 0 55112 1 0 56113 1 0 57114 1 0 61115 1 0 62116 1 0 M END