HMDB0290147 RDKit 3D Cer(t18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) 113113 0 0 0 0 0 0 0 0999 V2000 -9.6536 6.0017 2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6992 4.5040 1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9852 3.9018 2.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1476 2.4690 1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1534 1.8724 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0060 1.9158 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7330 1.2901 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8886 -0.1451 0.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3396 -1.0170 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4198 -1.1128 -1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0654 -1.7437 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3038 -1.8185 -2.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9868 -2.4640 -2.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 -1.8526 -1.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7223 -2.7605 -1.8973 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1074 -4.0459 -1.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 -2.3603 -1.1385 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5761 -3.4073 -1.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9214 -1.0551 -1.5629 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5995 -0.9756 -3.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 0.3043 -3.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -0.7891 -0.8188 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5273 -1.4674 -0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 -2.4044 -1.8106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6998 -1.1115 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 -2.0201 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5018 -2.1688 -1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -0.9013 -2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 -0.5863 -2.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 -1.3861 -2.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4303 -2.7797 -2.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0368 -3.4254 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9693 -2.9645 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4804 -1.6228 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2825 -0.7265 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5122 -0.8394 1.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 -0.5935 3.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 0.6372 3.1347 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2423 0.4221 4.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1599 1.4298 4.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9965 2.4278 3.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1834 3.3125 2.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8654 4.2630 1.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0554 5.1492 1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0411 6.1198 3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2374 6.5283 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5830 6.2765 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4368 4.4428 0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8403 4.0445 2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8718 4.5141 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0444 4.0770 3.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1381 2.1360 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4122 1.9274 2.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0354 2.3267 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4945 0.7893 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3121 1.2324 -1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7743 2.8457 -0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3392 1.8507 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9670 1.3669 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5280 -0.3003 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8554 -0.4678 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4829 -2.0780 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3469 -0.7293 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2366 -0.1231 -2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9149 -1.7422 -2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 -2.7290 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6220 -1.1029 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9544 -2.4435 -3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3049 -0.8125 -3.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1368 -3.5552 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5975 -2.5191 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -0.8619 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2385 -1.6419 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4682 -2.8893 -2.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0707 -4.0827 -0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -2.3544 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 -4.1658 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -0.2215 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -1.6974 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5142 -1.1140 -3.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 0.7607 -4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 -0.0217 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -0.0343 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -1.1097 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -3.0799 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6181 -1.7128 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -2.5136 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 -3.0248 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 -0.0816 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3775 0.4831 -2.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7701 -1.3188 -3.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3120 -0.7956 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 -3.4413 -2.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -4.5426 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 -3.2755 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8761 -3.6569 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1592 -1.3886 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7658 0.2662 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6897 -0.1295 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 -1.8435 2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0122 -1.5103 3.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7909 0.2516 5.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1647 0.9196 4.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.0264 5.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5989 2.0817 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1887 3.1456 3.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 3.9127 3.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 2.7724 2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0238 4.9005 2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5161 3.7149 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0783 5.9889 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9680 4.5406 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9902 5.5320 0.4357 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 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 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 39 37 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 6 16 75 1 0 17 76 1 1 18 77 1 0 19 78 1 1 20 79 1 0 20 80 1 0 21 81 1 0 22 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 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 44113 1 0 M END