HMDB0290151 RDKit 3D Cer(t18:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) 113112 0 0 0 0 0 0 0 0999 V2000 12.6658 -3.8889 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9112 -2.8123 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0160 -1.4850 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4186 -1.6476 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5075 -0.3859 1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9124 0.8575 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4768 0.9884 0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8191 0.1162 -0.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 0.5118 -0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6073 -0.3219 -1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -1.7470 -1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 -2.4523 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 -2.5278 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4387 -1.8192 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -0.5594 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4857 -0.7353 0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3052 0.6938 0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4493 1.1908 0.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 1.8098 0.9322 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0559 2.8439 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2217 2.3289 3.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 1.5278 1.4648 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 2.2441 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 3.1300 0.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 2.0109 1.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 3.1846 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 3.0642 1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4113 4.3222 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 4.4079 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0379 3.2635 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 3.3045 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4407 3.4685 -0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2843 3.6309 -2.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8747 2.6539 -3.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5186 1.5882 -2.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8648 1.0009 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3400 1.0073 -1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0453 -0.0729 -1.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5025 -1.4269 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9612 -2.0442 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4197 -3.4571 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8983 -4.0678 1.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3618 -5.4739 1.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8195 -6.2485 0.5755 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0641 -4.3019 -0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9666 -4.6811 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6162 -3.4611 -0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3421 -2.6878 -2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8421 -3.0755 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4054 -0.7499 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0774 -1.1501 -0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1215 -2.3865 1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4814 -2.1657 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1399 -0.5677 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6185 -0.1838 1.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2346 1.7224 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4282 1.1431 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 0.9121 1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2805 2.0590 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 -0.9363 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2427 0.3547 -1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2288 1.5870 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9412 0.2152 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 0.1049 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 -0.1734 -2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -2.2323 -2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7353 -2.0721 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 -3.5379 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 -2.1602 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.5428 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -3.1771 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 -1.7827 1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.6631 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4819 -0.3943 -0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1476 -1.5373 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6009 0.3163 1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 1.5301 0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2165 2.4255 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 3.7704 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 3.1316 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 2.8149 3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 0.8343 2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 1.1319 0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 1.8498 2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8522 4.0789 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 3.3761 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 3.0241 2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 2.1353 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9866 5.2444 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8109 5.3998 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 3.2887 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5836 2.2647 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6678 3.1913 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4865 3.5381 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1933 3.8282 -2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7071 4.6927 -2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7405 2.8788 -4.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8887 0.9855 -3.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4231 1.3984 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4879 -0.0870 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8600 1.9658 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1716 -0.0006 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4435 -1.5718 -1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9571 -2.0983 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0618 -2.1042 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6536 -1.4311 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2996 -3.4150 0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6666 -4.0704 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6226 -3.4214 2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0242 -4.1342 1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2619 -5.4273 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6798 -5.9183 2.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6989 -5.8701 0.2769 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 2 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 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 0 16 75 1 0 17 76 1 0 18 77 1 0 19 78 1 6 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 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 M END