HMDB0285294 RDKit 3D PE(P-18:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 131130 0 0 0 0 0 0 0 0999 V2000 14.4818 3.0706 -1.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1518 3.6895 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 3.7875 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8588 4.3754 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5934 3.6156 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6275 2.2567 1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 1.1521 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3088 1.1415 -0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1907 -0.0092 -1.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 -1.2856 -0.9262 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5957 -2.2728 -1.8918 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 -1.7156 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9158 -1.8591 -1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8202 -1.1486 -1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 -0.1438 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 -0.5510 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -0.7488 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 -1.1567 2.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -0.0389 3.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 1.2581 2.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 1.1565 1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 2.0346 0.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 0.1478 1.9261 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 0.0231 1.1269 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9575 0.2152 1.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1407 0.1435 1.2853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -0.8436 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -1.9372 1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -2.9765 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2156 -2.8717 -1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2629 -2.1250 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 -0.7024 -1.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0355 -0.2358 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1842 1.2495 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0573 1.7870 -1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4955 1.5574 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0720 0.2142 -1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5960 0.3359 -1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2016 1.0050 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7306 1.0803 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2343 1.7861 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7179 1.9594 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0465 2.6889 1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3375 4.0291 1.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 -1.3370 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 -1.5037 -0.3084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -3.0802 -0.9751 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1635 -3.0319 -2.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -3.7831 -0.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 -3.9511 -0.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -5.1572 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -5.9417 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 -5.1678 1.9506 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5874 3.0733 -2.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5018 2.0327 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3197 3.6094 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3211 3.1328 -1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1484 4.7001 -1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9452 4.4949 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3879 2.8278 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7492 5.4148 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8926 4.5096 2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3835 3.6478 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7395 4.1429 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7733 2.1742 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5558 0.2240 1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2431 2.0485 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0448 0.0427 -2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 -1.3445 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7023 -3.1113 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6769 -1.1520 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 -2.7655 0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1049 -2.6132 -2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -1.3019 -2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 0.8175 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2608 0.1498 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -0.6742 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1399 -0.6123 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -2.0547 2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 -1.4098 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 0.0742 4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -0.3222 3.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 1.4473 1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4931 2.1228 3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 0.8664 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9825 -0.6204 2.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 1.1997 2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 -0.7399 -0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2149 -2.0600 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 -3.2625 0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 -3.9685 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2575 -2.7139 -1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4023 -3.9882 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1934 -2.4148 -2.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2461 -2.7115 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1816 -0.3939 -2.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 -0.0695 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3914 -0.5109 0.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9905 -0.7857 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3798 1.6601 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1339 1.6538 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 1.5596 -2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9433 2.9497 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8576 2.1425 -2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9504 2.1152 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9947 -0.4544 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6907 -0.2929 -2.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8263 0.8744 -2.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0398 -0.6758 -1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0461 0.4010 0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9119 2.0710 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0921 0.0314 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0059 1.6323 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6913 2.7570 0.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9594 1.1041 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1925 0.9691 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0370 2.6378 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1244 2.8659 1.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6497 2.1326 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3680 3.9534 2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9717 4.7537 2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1968 4.3695 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5603 -1.5733 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3674 -2.1338 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -4.2466 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0899 -5.7615 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2883 -4.9135 1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 -6.2071 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1247 -6.8766 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1804 -5.4389 1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 -5.3969 2.8582 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 2 0 9 10 1 0 10 11 1 0 10 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 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 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 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 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 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 10 69 1 1 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 6 25 86 1 0 25 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 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 43118 1 0 43119 1 0 44120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 M END