HMDB0285434 RDKit 3D PE(P-18:1(11Z)/18:1(12Z)-O(9S,10R)) 127127 0 0 0 0 0 0 0 0999 V2000 -13.3095 1.0925 2.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9810 2.3858 1.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2411 3.5894 2.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8431 3.6916 1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9287 3.7699 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5458 3.8685 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9436 3.0374 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5779 1.8304 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7457 0.6377 -1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1618 -0.6258 -1.5185 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0229 -0.1105 -2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7048 -0.8132 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9762 -1.8287 -0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7276 -2.5939 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6686 -1.7131 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4620 -2.5207 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8762 -3.1812 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -3.9874 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 -3.1030 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 -3.6247 0.9984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6655 -1.7147 0.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 -0.9853 0.9984 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1166 0.0872 1.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 0.6660 2.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.3001 2.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1588 0.6889 2.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4508 1.2919 2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 0.4059 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4271 -0.9602 1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 -1.2096 2.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 -0.7753 2.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -1.4188 1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -0.9892 1.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1535 0.4710 1.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.1006 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4866 1.6852 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9465 1.8063 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 1.1449 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1274 1.2550 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5866 2.6754 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1036 2.6734 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4514 1.9261 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 -0.3499 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5265 -1.4306 -1.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 -0.9163 -2.4097 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7146 -0.4541 -2.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 0.3720 -3.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 -2.1450 -3.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 -3.1523 -3.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -4.2471 -4.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 -5.2744 -3.9712 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0142 1.0683 3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4801 0.8888 1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0593 0.2799 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9905 2.4137 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1885 2.3963 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1883 3.6576 3.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8502 4.4827 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3282 4.6174 2.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1977 2.8492 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4947 4.7040 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4360 2.8910 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9863 4.7594 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8844 3.2835 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5542 1.8302 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5979 1.6216 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3810 0.7764 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1831 0.1642 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 -0.0445 -1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3615 -1.3395 -2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6720 -2.5855 -1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3909 -1.3339 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0475 -3.2771 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4225 -3.2383 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -0.9489 -0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0095 -1.1647 1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 -1.8714 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8816 -3.3265 1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5805 -3.7772 -1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -2.3340 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -4.3984 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 -4.8096 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0886 -1.6957 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8305 -0.4256 2.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 0.8534 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 2.2309 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 -0.2668 3.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 2.2287 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 1.5865 3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0942 0.9732 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 0.3872 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -1.6206 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.4266 1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -0.8040 3.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 -2.3235 3.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 0.3259 2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1587 -1.0091 3.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -2.5281 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0475 -1.0671 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 -1.2938 2.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5245 -1.5182 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2197 0.6340 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6087 0.9688 2.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 1.0896 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0207 2.1389 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1717 2.9104 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4025 1.5452 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2879 0.1283 -1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 1.7822 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3773 0.7391 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6414 0.7251 -2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2547 3.2549 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1938 3.1996 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5062 2.2124 -2.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4063 3.7339 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3726 0.8220 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5198 2.1476 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8031 2.2740 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 0.3152 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 0.2173 0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5449 0.1719 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5797 -2.6928 -3.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 -3.5773 -2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 -3.8364 -5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -4.7148 -4.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7563 -5.1994 -2.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3762 -5.1588 -4.5047 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 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 2 0 26 27 1 0 27 28 1 0 28 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 2 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 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 11 9 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 22 83 1 1 23 84 1 0 23 85 1 0 25 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 47121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 M END