HMDB0261595 RDKit 3D PE(18:3(10,12,15)-OH(9)/18:3(6Z,9Z,12Z)) 122121 0 0 0 0 0 0 0 0999 V2000 17.7710 -2.0314 -0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1418 -3.0460 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6353 -2.9329 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9518 -3.9541 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5614 -4.1247 -0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5143 -3.1640 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4235 -1.9205 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1285 -1.1907 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0243 0.0619 0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 0.7756 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9716 2.1353 0.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9217 0.5068 1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 1.2271 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 0.8426 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 -0.6229 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4937 -0.8534 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -0.0453 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 -0.3187 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 0.6078 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 1.4885 -0.5069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 0.5141 1.1619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 1.1593 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 1.1547 0.2083 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6491 2.0571 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2502 3.1795 -0.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2723 4.5978 -0.4561 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7044 4.5790 0.1773 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6474 5.4786 0.7009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 5.6013 -1.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 4.9013 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 5.8021 -4.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 6.9683 -3.6506 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 1.8363 0.7618 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 1.1876 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 0.0271 0.2926 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7891 1.7778 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4013 2.5409 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6792 1.6295 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 0.5942 -0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9764 1.3129 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6843 1.2415 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4385 0.4503 1.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3266 -0.5674 2.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4388 -1.0081 1.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1293 -0.6251 0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3305 -1.8285 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5293 -2.2277 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7774 -1.5813 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6320 -2.6110 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9957 -3.7924 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8399 -4.7100 0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2923 -5.9432 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7034 -1.6521 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0972 -2.5509 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0558 -1.2270 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3257 -2.7469 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4909 -4.0702 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2577 -1.9661 0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6155 -4.8719 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4594 -4.5289 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2078 -5.0922 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4718 -3.5714 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3090 -1.4052 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2527 -1.7265 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9202 0.5870 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0908 0.4506 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1078 2.5873 1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7997 -0.5619 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4985 0.9358 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0649 0.9532 2.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7618 2.3216 1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 1.4401 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1939 1.1481 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2879 -1.1988 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8779 -0.9733 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1009 -0.5186 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 -1.9371 -0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4115 1.0371 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -0.3360 -1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 -1.3491 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7084 -0.1659 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 0.7798 2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 2.2575 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 0.1906 -0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6672 2.1429 -1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 1.3488 -1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5377 5.0533 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 3.9629 -3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2018 4.6701 -2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 5.2350 -4.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 6.1388 -4.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 7.0562 -2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 7.8110 -4.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4777 2.4934 2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4197 1.0443 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7158 3.3814 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3290 3.0834 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7202 1.1714 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 2.2136 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8992 -0.0184 -1.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3838 -0.1104 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3408 1.9890 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5787 1.9340 0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2478 1.1617 2.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4049 -0.0277 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9879 -1.0444 3.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9418 -1.8093 2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4966 0.0671 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0750 -0.1160 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4443 -2.3689 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6060 -3.1271 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7025 -0.7362 0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4322 -1.3128 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0831 -2.9143 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5602 -2.1104 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1302 -4.3112 -0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6250 -3.4591 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7382 -4.1276 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3323 -4.9529 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2241 -5.7504 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6867 -6.8230 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3441 -6.2144 0.2295 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 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 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 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 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 6 24 85 1 0 24 86 1 0 28 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 52122 1 0 M END