HMDB0006750 RDKit 3D LacCer(d18:1/16:0) 147148 0 0 0 0 0 0 0 0999 V2000 7.7339 5.9349 -11.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4955 5.0603 -10.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0376 4.7530 -10.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 3.8817 -9.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 4.4703 -7.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 3.5414 -6.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 4.1034 -5.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 3.2916 -4.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8665 1.9083 -4.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3441 1.1665 -2.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8465 -0.2342 -2.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -0.8623 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7554 -2.2873 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 -2.8810 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -3.9520 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8215 -4.5509 1.1751 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2061 -3.7660 2.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3286 -4.6189 1.0349 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7434 -3.2597 0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -3.3983 0.1908 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 -2.1595 -0.2621 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3715 -2.1040 0.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 -1.3605 -0.6088 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4246 -2.2643 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 -3.3098 -1.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 -0.5783 -1.7773 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0952 0.5552 -1.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 1.7269 -1.8133 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7563 2.3138 -2.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1223 3.4258 -2.1647 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1314 3.0847 -1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 2.3364 -0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 4.4615 -1.4999 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1730 5.0523 -0.4808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 3.9842 -0.8687 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4867 4.5876 0.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 2.4910 -0.6666 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6045 2.1635 -0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7684 -1.3564 -2.5821 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4695 -2.0389 -3.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.3332 -1.7940 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3457 -2.2786 -2.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6319 -5.1326 2.1685 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -5.5100 2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5151 -5.4164 1.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 -6.0452 3.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 -5.5455 3.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0814 -6.1579 5.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 -5.6054 5.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1668 -4.1893 6.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3789 -3.4664 6.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4091 -3.3243 5.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6214 -2.6105 5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5685 -1.2183 6.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -0.1058 5.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 0.0427 4.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 0.2351 5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8769 1.4678 6.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 1.5402 7.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 2.7444 8.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7821 6.0692 -12.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4183 5.4173 -12.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1618 6.9193 -11.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1213 4.1556 -10.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7815 5.6399 -9.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 4.2747 -11.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 5.7262 -10.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2256 2.9287 -9.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 3.5956 -9.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3992 5.4278 -7.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0056 4.6795 -7.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3843 3.3123 -6.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9986 2.5699 -6.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8594 4.3064 -5.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 5.1072 -5.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 3.3071 -4.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5737 3.8471 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5735 1.3932 -5.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 1.9813 -4.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6971 1.7458 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 1.2038 -2.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 -0.2605 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 -0.8482 -3.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1635 -0.8091 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 -0.2143 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 -2.8490 -2.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 -2.3099 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3829 -2.4197 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 -4.4270 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 -5.5414 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4645 -3.5369 2.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -5.2276 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8299 -2.5072 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 -2.9016 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 -1.3928 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -0.5976 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 -1.6662 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.7225 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 -3.5569 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 -0.2603 -2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 1.3990 -2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 3.9162 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 2.6196 -2.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5876 4.0575 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6401 2.8748 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 5.3144 -2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 5.8634 -0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0747 4.3109 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7786 4.3453 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 2.1800 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 1.6567 0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -0.6626 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -2.4832 -4.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 -3.3738 -2.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4647 -2.5015 -3.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -5.2387 3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -5.7118 4.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 -7.1654 3.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6802 -4.4631 3.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -5.9616 3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -7.2577 5.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 -5.8716 5.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -5.7463 5.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 -6.1797 6.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6694 -3.6163 5.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 -4.2331 6.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8683 -4.2150 7.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -2.5559 7.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9567 -3.0086 4.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -4.3964 5.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0875 -3.2607 6.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3664 -2.6832 5.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -1.1616 7.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5892 -0.9581 6.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9551 -0.0988 4.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5314 0.8604 6.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8952 0.9865 4.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 -0.7773 4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 0.5039 5.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 -0.6167 6.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 2.4052 6.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8101 1.4431 7.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 1.5827 7.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 0.5957 8.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 2.9233 9.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 3.6588 7.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3872 2.5302 9.3985 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 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 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 26 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 18 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 41 21 1 0 37 28 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 16 90 1 1 17 91 1 0 18 92 1 6 19 93 1 0 19 94 1 0 21 95 1 1 23 96 1 1 24 97 1 0 24 98 1 0 25 99 1 0 26100 1 6 28101 1 6 30102 1 6 31103 1 0 31104 1 0 32105 1 0 33106 1 6 34107 1 0 35108 1 6 36109 1 0 37110 1 1 38111 1 0 39112 1 6 40113 1 0 41114 1 1 42115 1 0 43116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 60147 1 0 M END