HMDB0268393 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/i-22:0) 139138 0 0 0 0 0 0 0 0999 V2000 16.9437 4.4977 -1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5320 3.1826 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0618 1.9899 -2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6344 1.6156 -2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9673 1.3432 -0.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8135 2.4803 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6365 2.8994 0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3665 2.2880 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7309 1.8479 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3694 0.6430 1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5523 -0.4979 0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 -1.2078 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0821 -1.0139 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4402 0.0545 1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 0.7443 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0261 1.2659 -0.5241 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 1.8156 1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6846 2.7656 1.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 1.3093 2.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 0.1867 2.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 0.4381 1.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -0.8826 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 -1.8768 2.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8498 -0.9702 1.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 -2.1366 1.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -2.9263 0.5775 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4470 -3.5653 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 -4.3928 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 -5.1806 0.8781 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5344 -4.3756 1.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3614 -6.6154 1.8015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3835 -5.5500 -0.7678 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.1078 -0.4721 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -2.5301 -1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 -3.6110 -0.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2221 -1.7381 -2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 -2.4849 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4365 -2.6048 -1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6115 -3.4793 -1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4471 -2.9733 -2.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1742 -1.6939 -2.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1073 -1.8760 -1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0388 -3.0185 -1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9754 -3.2825 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9866 -2.2176 -0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8656 -1.9149 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9793 -0.9373 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9371 -1.4479 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1163 -0.5620 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7569 0.8299 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0362 1.6760 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6591 3.0635 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9187 3.9474 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4867 5.3140 1.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8218 5.3169 2.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7244 6.2005 1.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2238 4.6436 -2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8870 4.6371 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5052 5.3034 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6474 3.2979 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7200 3.1438 -0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5163 1.9861 -3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6763 1.1138 -1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0416 2.3426 -2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6001 0.6679 -2.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6703 0.5926 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0505 0.7128 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7199 3.0213 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6087 3.7904 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3231 1.5985 -0.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 3.1601 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 2.6644 2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9526 0.5081 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1614 -1.2586 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1641 -0.2466 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4996 -2.1546 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3365 -1.7569 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 -0.3922 2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 0.8773 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -0.0348 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 1.9283 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9166 2.3505 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 3.3708 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 2.1891 3.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0011 1.0798 3.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9885 -0.0607 3.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6587 -0.7917 2.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 1.1496 2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.7998 0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 -2.7627 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 -1.8162 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4308 -3.7759 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 -4.2958 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -2.8733 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4369 -6.9137 2.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 -4.7489 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4471 -0.7059 -1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -1.5755 -3.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 -3.5221 -2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9155 -2.0095 -3.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -2.9593 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 -1.5850 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2144 -3.5609 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -4.5354 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1197 -3.7598 -3.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 -2.7495 -3.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7579 -1.3546 -3.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4328 -0.9092 -2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5206 -2.0292 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6461 -0.9278 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6475 -2.8768 -2.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4833 -3.9761 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3833 -3.4347 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5206 -4.2498 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5119 -1.3045 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6461 -2.6581 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2834 -2.8807 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2814 -1.4991 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5976 0.0502 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5054 -0.7375 -2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2578 -2.4668 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4216 -1.4764 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8353 -1.0052 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6985 -0.5096 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0684 1.3375 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3299 0.8574 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7169 1.2208 1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4985 1.6717 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0217 3.5170 0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1572 3.0069 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2633 4.0230 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6971 3.5080 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7822 5.7735 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7767 4.9916 2.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4170 4.7115 3.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8523 6.3502 3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4011 5.8393 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4786 7.2695 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2216 6.0401 2.5372 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 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 46 47 1 0 47 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 1 0 54 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 32 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 55134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 M END