HMDB0290130 RDKit 3D Cer(d20:1/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 114113 0 0 0 0 0 0 0 0999 V2000 9.9637 3.6125 -2.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7023 2.2872 -3.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 2.1961 -2.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7956 1.2684 -1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7723 0.2024 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4860 -1.0929 -1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2445 -2.0038 -2.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1498 -1.9199 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2457 -3.0667 -2.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9812 -3.1226 -2.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -2.0988 -2.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2605 -0.7001 -2.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1075 0.1051 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6465 -0.2461 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 0.6677 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 0.4239 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2192 0.1342 2.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 -0.6684 2.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -0.7203 3.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -1.7125 4.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4539 -1.5712 3.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 -0.9402 2.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3587 -2.1907 4.2436 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 -2.1320 3.7246 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7487 -3.3040 4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 -4.4733 3.8595 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5287 -0.7915 4.2374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5344 -0.7608 5.6016 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7515 -0.3162 3.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 -0.9562 2.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7071 -0.4386 2.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0724 0.8805 2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 1.4444 2.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6767 1.6034 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 0.4114 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 0.7316 -1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4780 1.5722 -1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7286 0.9625 -1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9134 1.8880 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1745 1.4123 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7307 0.1170 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1189 -0.3354 -2.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1588 0.3856 -3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7605 1.7362 -3.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5864 1.7167 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 3.6709 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1771 3.7388 -3.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6692 4.4764 -2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0575 1.4378 -3.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2436 2.3949 -4.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5963 2.9556 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6059 1.2111 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8985 0.3407 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 0.2170 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3172 -1.2578 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8472 -2.9119 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 -0.9907 -3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6733 -1.9854 -4.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7629 -4.0654 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5845 -4.2031 -2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3929 -2.3896 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1632 -2.3208 -3.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -0.2856 -3.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 1.1585 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3754 -1.2801 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8313 1.6787 0.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 1.3548 2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 0.9922 3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 -1.6308 2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -0.6048 1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 -0.9790 4.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5622 0.3114 4.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2016 -2.7399 4.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 -1.5112 5.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5024 -2.7057 5.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -2.0914 2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 -3.3514 5.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -3.3363 4.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 -4.4237 2.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3005 -0.0668 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -0.0432 6.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 0.6527 3.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -1.9102 2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3985 -0.4071 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4701 -1.1838 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 1.6297 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1688 0.7621 3.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5499 2.4495 2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2338 0.8392 2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6417 2.2311 0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9131 2.3083 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0817 -0.2670 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7888 -0.1739 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3369 -0.2428 -2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4045 1.2759 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6283 1.7759 -2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2901 2.5643 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5990 0.7346 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9081 0.0084 -1.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9596 2.3137 -2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6181 2.8101 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8900 1.3033 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8791 2.2767 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7049 0.0300 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1292 -0.7267 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2509 -0.4775 -3.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4758 -1.4265 -2.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4143 -0.2409 -4.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1112 0.4952 -2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6053 2.1923 -4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5205 2.3908 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9555 1.2317 -5.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2349 2.7052 -4.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7370 1.1139 -4.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 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 27 29 1 0 29 30 2 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 44 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 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 0 15 66 1 0 16 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 23 75 1 0 24 76 1 6 25 77 1 0 25 78 1 0 26 79 1 0 27 80 1 6 28 81 1 0 29 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 45114 1 0 M END