HMDB0272809 RDKit 3D PGP(18:2(9Z,11Z)/20:3(5Z,8Z,14Z)-O(11S,12R)) 136136 0 0 0 0 0 0 0 0999 V2000 -2.2080 4.2979 -6.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 3.4354 -5.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 2.7284 -4.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2781 3.7133 -3.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 2.9236 -2.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 3.7959 -1.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 3.7468 -1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 2.8620 -2.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 2.0113 -1.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 1.1797 -0.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 0.6179 -1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -0.2965 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 -1.6846 -1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -2.7042 -1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 -2.6249 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -2.9971 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.3037 1.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 -0.9398 2.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -0.8451 3.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -1.1823 4.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2926 -0.2914 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4254 -0.4285 4.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 0.7056 3.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1519 1.6195 2.7498 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5200 1.3214 1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 0.0554 1.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.5012 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 0.1492 -0.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2626 -1.7807 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3733 -2.3837 -1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0212 -1.5358 -2.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1084 -2.2206 -3.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 -3.3645 -3.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1278 -4.0985 -5.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 -4.8386 -5.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6951 -5.9631 -4.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -6.1003 -3.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -5.1981 -3.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5963 -5.3764 -2.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5414 -6.5529 -1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 -6.1098 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 -7.3364 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6122 -6.9599 1.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 -6.0670 2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 -5.7535 3.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8091 3.0567 2.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 3.4303 4.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1982 5.0778 4.2272 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4561 5.7326 2.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 5.8978 5.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 5.3513 4.6743 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 6.6162 5.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0846 6.6834 5.5860 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3831 5.6721 6.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 6.5206 4.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 5.2982 3.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3241 5.1689 2.2163 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4231 5.4323 1.0234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9864 3.6066 2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6153 6.2556 2.1195 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 5.3419 -6.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7479 4.3019 -7.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 3.8780 -6.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4567 2.6293 -6.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 3.9999 -5.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 2.1448 -3.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 2.1269 -5.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 4.3326 -3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 4.3932 -4.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 2.4736 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0679 2.0650 -3.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1088 4.5040 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 4.4458 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 3.4720 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 2.2014 -3.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 2.5181 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 0.1643 -2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 0.0109 -1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 -0.1679 -0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -1.9048 -2.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 -3.6811 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5475 -3.4761 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 -1.7273 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 -4.0067 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -2.7756 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.2710 1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 -0.6676 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3365 0.2280 3.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 -1.4332 4.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -1.0393 5.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5531 -2.2550 4.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 1.4209 3.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6062 1.2961 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2066 2.0764 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 -2.4950 0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 -1.6284 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 -3.4006 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 -2.5655 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5338 -0.5420 -2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0655 -1.3229 -2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 -1.4243 -4.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -2.4911 -4.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -4.0572 -2.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0646 -2.9870 -3.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9462 -4.8347 -5.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3709 -3.4243 -5.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0122 -5.3118 -6.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -4.2656 -5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 -6.7454 -4.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7382 -7.0115 -3.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5282 -4.2794 -4.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 -4.6189 -2.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -7.1065 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3009 -7.3019 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -5.4669 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 -5.5282 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 -7.9371 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 -7.9974 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 -7.8678 2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 -6.4243 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 -5.1077 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 -6.4886 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -6.3612 4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 -4.6792 4.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -5.9267 4.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 3.6912 2.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0891 3.3194 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 6.8249 5.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 6.7370 6.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4088 7.3841 4.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 7.6574 6.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 4.7742 6.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 6.5393 4.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 7.3263 3.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 3.1215 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 6.7381 1.2674 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 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 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 11 9 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 1 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 50128 1 0 52129 1 0 52130 1 0 53131 1 1 54132 1 0 55133 1 0 55134 1 0 59135 1 0 60136 1 0 M END