HMDB0290017 RDKit 3D Cer(d18:1/20:4(5Z,8Z,11Z,13E)+=O(15)) 108107 0 0 0 0 0 0 0 0999 V2000 -15.0669 -0.4874 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4534 0.6913 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5457 1.4361 2.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4450 0.5684 2.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5391 0.0220 1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8854 1.1786 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9683 0.7506 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8461 -0.1435 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9978 0.5491 1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8494 -0.1895 1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6026 -0.4138 1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 -0.9267 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8250 0.1036 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 0.9871 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 0.7805 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 1.7478 -0.9346 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7416 2.0745 0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5093 1.1625 -1.9773 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3733 0.6792 -3.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 0.1023 -4.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 -0.0617 -1.4634 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 -0.4568 -1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9366 0.2726 -2.7841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 -1.6906 -1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 -2.1793 -2.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3087 -1.2356 -2.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4425 -1.7997 -2.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 -2.1039 -2.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -1.9886 -1.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5148 -1.5338 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 -0.4786 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7031 0.5623 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6396 0.5581 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9499 0.5001 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 0.4291 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9858 0.3785 0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7155 0.3058 2.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1211 0.2823 3.2334 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1967 0.2615 2.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6491 0.3698 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1522 0.3456 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 1.5003 1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3008 1.4283 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5270 -0.1636 2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8176 -1.0030 1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2743 -1.2467 2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9224 0.3406 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2933 1.3943 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1891 2.3629 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2108 1.6720 3.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8038 1.1815 3.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8931 -0.2724 3.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1024 -0.6286 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7696 -0.6160 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3724 1.7991 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7569 1.7465 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4735 1.6673 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5305 0.3215 -1.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3711 -0.5694 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3244 -1.0640 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6723 1.5296 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6462 0.9283 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2162 -1.2385 2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5442 0.2803 2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 -1.0491 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 0.6279 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 -1.4420 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3717 -1.7370 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 0.7381 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9856 -0.3727 -2.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 1.8248 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3415 -0.0251 -0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 2.6754 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 2.2890 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 1.8698 -2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 1.5212 -3.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 -0.1461 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 0.6242 -4.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -0.6332 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1392 -2.4480 -1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 -1.5146 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 -2.2802 -3.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -3.2223 -1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 -0.8086 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0148 -0.3210 -2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -1.9861 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3363 -2.5257 -3.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3200 -1.6538 -1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.1261 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6683 -2.1949 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9672 -0.3826 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 1.5996 0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2711 0.5770 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 0.6316 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 0.5072 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1460 0.4112 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4734 0.3977 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5126 -0.7508 2.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6752 1.0136 2.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2747 -0.5185 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3011 1.3344 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3571 0.5462 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6056 -0.6229 0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 1.4309 2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4198 2.4352 0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6479 0.3851 0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6122 2.0429 0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8026 1.9119 1.8841 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 6 17 74 1 0 18 75 1 6 19 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 43108 1 0 M END