HMDB0289863 RDKit 3D Cer(d16:1/18:2(9Z,11E)+=O(13)) 100 99 0 0 0 0 0 0 0 0999 V2000 -12.5697 0.4040 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2530 1.2211 1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0146 0.9192 1.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6960 1.0597 1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4647 0.1625 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3300 -1.2738 0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2081 -1.9996 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3463 -1.8473 2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2751 -0.8697 2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3849 0.5773 2.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 1.2167 2.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 0.7152 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 -0.0053 1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 -0.5230 0.0117 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2139 -0.8550 -1.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 0.4519 -0.3644 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9541 1.7706 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 1.5915 -1.9287 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 -0.0315 -1.3975 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9514 -0.0475 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 0.3634 -0.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -0.5577 -2.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2755 -0.4007 -1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2979 -0.8884 -2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2595 -0.2026 -4.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 1.2466 -4.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 1.9162 -3.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 1.8634 -2.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 2.5824 -2.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3594 2.0115 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4005 0.6046 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5189 0.0827 -0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6637 -1.3057 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7231 -2.1539 -0.5405 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9455 -1.8033 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8794 -1.7490 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6571 -0.3330 2.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6035 -0.3266 3.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4874 -1.1887 4.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1263 -0.6009 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6942 0.1784 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3975 0.9347 -0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1009 1.0054 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4092 2.3225 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9458 1.6250 2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1018 -0.0843 2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9694 0.7193 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4303 2.1075 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1458 0.3601 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4598 0.5052 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2310 -1.5777 1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6210 -1.8217 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4658 -2.1217 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5192 -3.1648 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 -1.6993 2.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9121 -2.8936 2.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7411 -1.1444 3.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4472 -1.1694 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7676 0.9861 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9724 0.9838 3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5366 0.8617 3.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1334 2.3099 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6389 0.9608 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 -0.2299 2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -1.4765 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 -1.2832 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6785 0.6292 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5717 2.1939 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 2.4497 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 1.0512 -2.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.3721 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 0.0114 -3.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -1.6376 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 0.6359 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 -1.0345 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 -1.9655 -3.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -1.0773 -2.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 -0.5228 -4.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0177 -0.7173 -4.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5788 1.8264 -3.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 1.4965 -5.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5077 3.0268 -3.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 1.6181 -4.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2318 2.4949 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0193 0.9227 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 3.6628 -2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2778 2.6188 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 -0.0889 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3543 0.7518 -0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8075 -1.1615 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1699 -2.8092 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0435 -2.3637 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8525 -2.1064 2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6942 0.0649 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5162 0.3153 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4350 0.7298 3.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6067 -0.6774 3.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -1.3024 3.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8942 -2.1877 4.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0676 -0.7679 5.1043 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 10 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 1 15 66 1 0 16 67 1 1 17 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 22 72 1 0 22 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 30 87 1 0 31 88 1 0 32 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 39100 1 0 M END