HMDB0299592 RDKit 3D DG(i-18:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0) 119118 0 0 0 0 0 0 0 0999 V2000 -17.9593 1.6021 -1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9930 0.4493 -1.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3049 0.3066 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3666 -0.8687 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6279 -1.0886 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8320 0.0904 1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5370 0.0612 1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7216 -1.1444 1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6568 -1.0008 0.1401 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9091 -2.1610 0.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7498 0.1054 0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4418 0.0091 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5359 1.0888 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2383 1.0727 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5564 -0.0268 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.7472 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0663 -0.5617 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4528 0.3758 2.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3591 1.2800 3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7789 2.2275 2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1104 1.6797 0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 1.5275 -0.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7733 1.2782 1.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 0.7134 -0.1483 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8703 1.7279 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4909 1.4721 -1.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -0.6190 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 -1.5074 -0.4568 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 -1.6240 -1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -0.6948 -0.8763 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -2.8202 -1.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8918 -2.9338 -2.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1215 -3.0747 -1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5705 -2.0686 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9224 -2.5099 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9161 -2.7026 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.0505 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7927 -1.9337 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9808 -0.6610 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5192 0.3989 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7122 1.6712 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2490 2.7643 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5837 2.4463 1.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6508 2.1673 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9298 1.8638 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3268 3.0695 1.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0137 1.5419 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9654 1.2728 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5758 2.4192 -2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1210 1.9898 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2330 0.6247 -2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5541 -0.4762 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7324 1.2288 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0740 0.1170 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9088 -1.7756 -0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5962 -0.6301 -1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4380 -1.1812 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1339 -2.0450 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3473 1.0647 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9934 1.0020 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1057 -1.2102 2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2331 -2.0986 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1588 -0.8125 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6191 -2.2994 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0814 1.0131 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1289 -0.8958 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9214 2.0088 1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6398 1.9687 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0877 0.3030 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3068 -0.7955 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9846 -1.5813 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 -1.2554 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4337 0.8780 2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6463 -0.2703 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 0.5826 3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 1.8292 4.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0756 2.9437 2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6292 2.9168 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 0.6345 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 1.9471 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 2.6910 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 0.8182 -2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.4084 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5441 -1.0877 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -2.8574 -2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2841 -3.7511 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8586 -3.8863 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -2.1472 -3.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 -3.2129 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -4.1222 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 -1.0565 -1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 -1.9694 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -3.4660 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 -1.7724 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9795 -1.9045 -1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 -3.6759 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9626 -3.2910 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 -3.9434 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2017 -1.7434 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 -2.2409 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 -0.8396 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0574 -0.2544 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4630 0.0762 0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7938 0.6172 1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7442 2.0157 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3499 1.4488 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5371 2.9682 1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4080 3.6993 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8581 3.2969 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5239 1.5575 1.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3518 1.2772 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8171 3.0510 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7319 0.9904 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0165 4.0174 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4374 3.1052 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8147 2.9882 2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6907 0.6785 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2025 2.4307 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9451 1.2941 0.4481 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 9 11 1 0 11 12 2 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 24 27 1 0 27 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 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 6 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 6 25 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 M END