HMDB0277335 RDKit 3D PI(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 143143 0 0 0 0 0 0 0 0999 V2000 -0.3166 -2.2040 8.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 -2.3728 8.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -1.7306 7.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7657 -2.3794 6.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 -1.8010 5.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 -1.9643 5.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0088 -1.5227 4.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1511 -0.1269 3.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 0.6215 3.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 1.0953 2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 0.8994 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8288 2.2451 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 2.7481 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 2.0306 -1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 2.4897 -2.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 3.4794 -2.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 4.4060 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 4.3561 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 4.6869 -1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0751 4.5692 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 4.9026 -0.6915 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 4.1129 1.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 3.9933 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0728 3.0876 1.4765 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1593 3.0905 2.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 2.3538 2.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5148 2.2452 3.1490 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9127 3.6143 3.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 1.3080 4.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8051 1.4351 2.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6728 2.3420 1.7886 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5684 2.2386 0.2643 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5125 3.0803 -0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7525 0.7953 -0.1328 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4544 0.2307 -0.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6833 0.0565 0.7751 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3257 -0.9444 0.0582 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7231 1.0406 1.2987 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7853 0.3667 1.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0723 2.0384 2.2270 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1358 1.5902 3.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 1.7576 1.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 1.1734 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6862 1.8947 -0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 -0.2128 -0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 -0.6639 -1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 -0.0690 -2.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 1.3581 -2.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 2.0134 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 1.3587 -5.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5643 1.6935 -6.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0584 0.9294 -7.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 -0.5555 -7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3738 -0.9547 -7.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0062 -1.7078 -6.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -2.3272 -5.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 -3.8170 -5.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3557 -4.4155 -4.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0328 -3.7536 -3.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7715 -4.4544 -2.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 -3.8292 -1.4067 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7787 -2.7677 -0.8763 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8644 -3.3523 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7038 -4.4901 -2.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -3.1609 7.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 -1.9704 9.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4239 -1.3811 7.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -3.4549 8.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 -1.9000 9.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0888 -1.8820 7.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -0.6371 7.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 -2.2495 6.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9311 -3.4620 6.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -0.7744 4.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 -2.4172 4.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 -3.0492 5.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2623 -1.4355 6.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0301 -1.9303 4.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 -2.2107 3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 -0.0201 3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3581 0.4427 4.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 0.8448 3.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 1.6547 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 0.4404 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1337 0.3251 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 2.9037 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 3.7503 -0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 2.1158 -2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 0.9061 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 1.8712 -3.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 3.6398 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 4.4946 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 5.4555 -1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 3.4231 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 5.1825 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 3.9029 -1.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 5.6650 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 3.8290 2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 5.0273 1.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5783 3.5004 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4390 4.1093 2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7468 2.5021 3.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 0.4025 4.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4298 3.3889 2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5531 2.6071 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1261 3.7210 -0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1357 0.6910 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0527 0.4186 -0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1623 -0.4401 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9151 -1.0096 -0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1327 1.5785 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9846 -0.4122 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7033 2.9680 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0739 0.5995 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5755 -0.2812 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1242 -0.8952 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0773 -0.5831 -1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 -1.7969 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -0.3962 -2.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3315 -0.6253 -3.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5758 1.9209 -2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4716 3.1298 -4.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 1.8782 -5.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4945 0.3148 -5.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 2.7902 -6.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 1.3741 -8.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 -0.9631 -6.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 -0.8852 -8.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 -0.5963 -8.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 -1.9584 -6.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 -2.1906 -5.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -1.8772 -4.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 -4.3222 -6.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -5.4998 -4.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -2.6989 -3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 -5.5081 -2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -4.5754 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -2.5137 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 -2.8877 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7099 -2.6088 -2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 -5.0060 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4998 -4.0492 -3.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 -5.2327 -2.9586 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 1 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 40 31 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 0 23 99 1 0 24100 1 6 25101 1 0 25102 1 0 29103 1 0 31104 1 1 32105 1 6 33106 1 0 34107 1 6 35108 1 0 36109 1 1 37110 1 0 38111 1 6 39112 1 0 40113 1 1 41114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 58134 1 0 59135 1 0 60136 1 0 61137 1 1 62138 1 0 63139 1 0 63140 1 0 64141 1 0 64142 1 0 64143 1 0 M END