HMDB0290090 RDKit 3D Cer(d18:2(4E,14Z)/18:3(9,11,15)-OH(13)) 104103 0 0 0 0 0 0 0 0999 V2000 7.9756 0.2957 -4.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7472 1.5333 -3.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3591 1.8846 -2.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2059 1.9397 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 2.2754 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4374 2.5656 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 3.6177 -0.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6334 1.3087 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9519 0.1938 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1809 -1.0554 0.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -2.1596 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 -3.4674 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4595 -4.0492 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 -3.3672 3.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -1.9838 3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 -1.4908 4.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 -1.4278 4.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6543 -0.5975 3.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 -0.6873 1.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 -1.1900 1.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -0.1609 0.8354 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -0.2281 -0.5560 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0866 -1.6863 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 -1.8148 -2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 0.6961 -1.3705 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6957 2.0096 -0.9516 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 0.2651 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 1.0070 -0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3342 0.4899 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8153 0.5597 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 0.1447 0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6612 -1.2138 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8075 -1.7690 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7278 -0.9465 -1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0912 -0.8472 -0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 -0.0779 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6521 1.2906 -2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3168 2.3463 -1.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5796 2.3982 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6235 3.1118 -1.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8932 3.1931 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6394 -0.3183 -4.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6823 -0.2810 -3.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0742 0.6248 -4.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5013 2.3939 -4.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8461 1.3708 -3.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3148 2.0927 -2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 1.7148 -1.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5335 3.1385 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2622 1.4241 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 2.8716 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 3.8992 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 1.2828 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8189 0.1848 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -1.0799 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4364 -2.0643 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6157 -4.1848 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 -3.4409 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 -5.1236 2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -4.2668 3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 -4.0024 4.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4639 -3.4601 2.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -2.0572 4.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 -1.2356 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 -0.4578 4.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 -2.0665 5.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 -1.3080 5.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 -2.5139 4.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 0.5236 3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5251 -0.8105 3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1983 0.2569 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -0.0511 -0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 -2.3398 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0944 -1.9506 -0.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 -2.5893 -2.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 0.6791 -2.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 2.1185 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 -0.7492 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7444 2.0101 -0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8691 1.0991 -1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -0.5539 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 0.0811 1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7092 1.6597 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9399 0.8553 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 0.4357 1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7063 -1.2391 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1292 -1.9612 1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 -1.9649 -1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3463 -2.7778 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2859 0.0870 -1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7245 -1.4089 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0436 -0.3248 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5058 -1.8585 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2252 -0.6583 -2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0509 -0.1303 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7163 1.4110 -2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8670 3.3249 -2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4974 3.0504 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0226 1.4289 -0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2931 4.0941 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8309 2.4606 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7770 3.4780 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0714 2.2722 -0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6671 3.9990 -0.2350 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 18 70 1 0 21 71 1 0 22 72 1 1 23 73 1 0 23 74 1 0 24 75 1 0 25 76 1 6 26 77 1 0 27 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 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 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 41104 1 0 M END