HMDB0263541 RDKit 3D PA(17:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 124123 0 0 0 0 0 0 0 0999 V2000 18.8277 -2.2309 2.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9903 -1.2417 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9701 -1.9652 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6830 -1.7771 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1076 -0.7964 1.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 0.2300 0.8173 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7484 1.1802 1.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1316 -0.4469 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5046 0.1635 -0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3751 -0.4973 -1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7326 0.0641 -2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0047 1.3267 -3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 2.4395 -3.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9357 2.4959 -2.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 1.4772 -1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1009 1.6929 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 0.5896 -0.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5253 0.0633 0.5322 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 -0.4036 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0718 -1.3373 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -1.3954 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 -1.2170 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5134 -2.2853 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -2.0950 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -2.8929 1.2934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 -0.9975 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -0.7276 0.2666 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7797 -0.7981 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -0.4444 -0.8537 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6705 0.7870 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 1.8073 -0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1568 0.9868 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4121 2.4446 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8466 2.8179 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6139 2.3888 -1.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0843 2.7601 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7323 2.1146 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7153 0.6088 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3789 0.0187 1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7962 0.4399 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7083 0.0709 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7687 -1.4276 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2740 -2.1997 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6300 -2.0186 1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8103 -2.3715 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0725 -1.6346 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2900 -0.1718 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 0.4069 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7482 0.1644 2.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1621 1.4851 3.4223 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6011 1.9188 3.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 1.0387 5.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 2.8177 3.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7114 -1.6232 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1881 -3.0050 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2565 -2.6508 2.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6314 -0.4902 1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7509 -0.7740 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3063 -2.7273 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9640 -2.3772 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7851 -0.2662 2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3761 -1.3443 2.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8874 0.7256 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4272 1.8929 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7566 -1.4090 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8261 1.1186 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 -1.4922 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9094 -0.5650 -2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0403 1.6804 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1673 1.1467 -4.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4162 3.3470 -3.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 3.4468 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6968 0.5002 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 2.6418 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7556 1.1132 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7906 -0.7991 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 -0.3448 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -2.0637 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 -2.3792 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3272 -0.6237 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -0.2070 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1565 -1.3736 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -2.1356 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -3.3001 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3397 -1.6567 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3537 -0.1514 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6716 -1.8404 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5737 0.5835 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4805 0.3630 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7939 2.7986 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9699 2.9526 -1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2472 2.2002 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0072 3.8612 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2438 2.8723 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5645 1.2855 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6198 2.4737 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2300 3.8557 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8010 2.4613 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2721 2.4865 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7155 0.1808 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2788 0.2343 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8410 0.3842 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2060 -1.0661 1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1756 -0.0039 2.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8459 1.5322 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6903 0.5010 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3470 0.5901 -0.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6524 -1.7332 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1454 -1.7217 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1896 -3.3013 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4881 -2.1649 1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6762 -2.5984 2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8128 -0.9287 1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8504 -3.5031 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7286 -2.1926 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3670 -1.8570 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0831 -2.0414 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6079 0.3582 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3269 0.0945 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0459 0.1908 0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3955 0.3885 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.3587 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 0.1401 5.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 3.5250 2.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 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 27 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 46 47 1 0 27 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 6 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 1 18 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 52123 1 0 53124 1 0 M END