HMDB0260728 RDKit 3D PE(14:1(9Z)/18:1(12Z)-2OH(9,10)) 119118 0 0 0 0 0 0 0 0999 V2000 -13.0351 3.1017 -2.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1428 2.6741 -1.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9066 1.2372 -1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5674 1.1027 -0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3204 -0.2809 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2581 -1.0068 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2569 -0.4723 -1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8544 -0.3044 -1.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9955 -1.4407 -0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3573 -2.1509 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3900 -3.3101 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9865 -2.7976 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0405 -3.9765 0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6687 -3.4850 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2573 -3.2292 2.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -3.2801 0.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -2.8299 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -1.5108 0.9275 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0744 -0.3970 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7182 -0.0961 -0.9759 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6715 1.1946 -1.5348 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7566 2.3097 -1.9684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.7389 -2.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 1.7692 -0.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 3.0579 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0043 3.5940 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 2.7544 2.4555 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 -1.2729 0.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7967 -1.1957 2.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 -1.3201 3.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 -0.9544 2.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -0.9781 3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1377 -0.9123 3.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 0.2398 3.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3312 0.4109 2.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2695 1.6048 2.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 1.9006 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 0.8373 -0.0950 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6589 -0.3146 -0.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7472 0.4965 0.5773 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5866 -0.0745 1.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 -0.4941 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7671 -0.8396 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 -0.6379 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1507 -0.0043 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9612 1.2673 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2089 1.9619 -2.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9705 1.1132 -3.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3224 0.6997 -3.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4048 3.9054 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3322 2.2712 -3.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4590 3.4358 -3.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1008 2.6805 -2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1986 3.3488 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6884 0.8465 -0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8503 0.6562 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7495 1.6766 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7681 1.6377 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0100 -0.8142 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2534 -2.0475 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2172 -1.2509 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6445 0.4197 -2.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3264 0.1699 -2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7330 0.4694 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9533 -2.1508 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9365 -1.0315 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1208 -1.4241 1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3809 -2.4948 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4521 -3.9846 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7122 -3.8809 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 -2.2807 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9541 -2.0904 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1108 -4.6747 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3706 -4.4997 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -3.5771 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -2.6951 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 -1.5809 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 0.5030 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 -0.7180 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1095 0.4472 -3.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 3.7157 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 3.0178 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 3.6239 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 4.5815 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 1.8877 2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 2.4346 2.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 -1.8052 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4337 -0.0016 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1038 -0.1959 4.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -1.9633 3.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 -1.8435 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 -1.1038 5.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5035 1.2248 3.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9401 0.2384 4.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 0.5153 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8775 -0.4985 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 2.4924 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1296 1.5011 2.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2338 2.8776 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 2.0832 0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6711 1.2310 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4584 -0.4993 -1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3407 1.4165 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 0.2185 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 -1.4078 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5311 -0.1116 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7127 -1.3163 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8603 -0.9419 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2864 0.1073 -2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8459 -0.7121 -2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9504 1.0367 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4371 1.9653 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8499 2.8505 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 2.2873 -3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3506 0.2427 -3.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1367 1.7357 -4.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0323 0.5631 -3.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3031 -0.2688 -2.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7307 1.5141 -2.4779 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 2 0 6 7 1 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 2 0 14 16 1 0 16 17 1 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 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 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 17 76 1 0 18 77 1 1 19 78 1 0 19 79 1 0 23 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 6 39102 1 0 40103 1 1 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 M END