HMDB0299434 RDKit 3D DG(i-17:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 119118 0 0 0 0 0 0 0 0999 V2000 -15.0952 1.8528 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1612 2.1940 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7956 1.5805 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9885 0.0788 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6454 -0.6266 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9584 -2.0664 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4397 -2.9936 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4242 -2.7020 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2228 -3.4734 1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0235 -2.9970 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7748 -1.5349 1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7796 -1.1258 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6584 -0.4962 1.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2698 -0.1084 0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2661 1.3672 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6766 1.7095 0.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0949 2.1742 -0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 3.5251 -0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4682 1.8317 -2.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9031 0.8715 -2.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5294 -0.5200 -2.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2571 -0.7563 -2.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7621 -1.9212 -2.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 0.2430 -1.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 0.0430 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 1.3290 -0.1202 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9305 2.3628 -1.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 1.4270 0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 1.5158 0.3714 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.6359 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 -0.5204 -0.4497 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 1.0453 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2274 -0.0761 -1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 0.4528 -1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4207 1.0141 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 0.0236 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5767 -1.1005 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 -2.1372 0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 -1.4860 1.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1199 -0.8452 1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 -1.8312 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2103 -1.1752 -0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0008 -0.4854 0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2356 0.1772 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0112 0.8919 1.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4028 -0.1659 2.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2917 1.4490 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8272 2.6841 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6512 0.9310 -0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5262 1.8323 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6292 1.7720 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1373 3.2872 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3656 1.9651 -0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0847 1.8542 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4518 -0.3177 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6529 -0.1616 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3678 -0.2435 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8924 -0.3136 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7057 -2.4245 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7763 -4.0417 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9269 -3.1329 2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3577 -1.6516 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3160 -4.5874 1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1909 -3.7033 0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7438 -1.0122 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 -1.2811 0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9933 -1.3761 3.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9624 -0.2211 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 -0.6727 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 -0.4823 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7004 1.7644 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2086 1.6625 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 2.3714 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 3.7118 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6593 1.7804 -2.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4074 2.8631 -2.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5133 0.9380 -3.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 1.4083 -3.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 -0.9580 -3.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3309 -1.2065 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 -0.8590 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5238 -0.1630 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 1.6059 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 2.0877 -1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1061 2.3215 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0395 0.5405 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 1.4191 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 1.8774 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -0.4051 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 -0.9493 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1077 -0.3359 -2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2911 1.2905 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9906 1.9468 -0.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3699 1.3630 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4153 0.5697 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -0.3739 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4244 -0.6675 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9325 -1.6241 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1249 -2.5265 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5733 -2.9248 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 -0.8030 2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2454 -2.3163 2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6809 -0.4381 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 0.0412 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3470 -2.6347 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4296 -2.3725 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8069 -1.8291 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8266 -0.3600 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3077 -1.1489 1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4093 0.3644 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9083 0.9397 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8772 -0.5559 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4183 1.6993 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6729 -1.0839 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2517 0.2585 2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5546 -0.3132 3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1040 2.3963 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0768 1.5518 1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6325 0.7227 -0.0533 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 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 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 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 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 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 25 81 1 0 25 82 1 0 26 83 1 1 27 84 1 0 28 85 1 0 28 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 M END