HMDB0004972 RDKit 3D GlcCer(d18:1/18:0) 132132 0 0 0 0 0 0 0 0999 V2000 -9.6661 -7.7657 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9931 -6.3363 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3833 -5.9881 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7489 -4.6079 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8165 -3.6012 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2300 -2.2096 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3090 -1.2048 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9010 -1.4488 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9143 -0.4615 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2758 0.9337 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3251 1.9095 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9191 1.6191 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8218 1.7298 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 1.4409 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 1.1557 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 0.8790 -1.2690 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3138 0.4795 -2.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 2.0973 -1.2332 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7202 3.2106 -2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7946 3.9068 -1.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4898 4.6067 -0.4127 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3677 4.2194 0.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9263 4.7489 1.7891 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6117 4.0341 2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2738 2.6777 2.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 6.2264 1.7360 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9798 6.8517 2.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 6.8040 0.6496 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4925 8.1866 0.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6541 6.1120 -0.6519 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6645 6.5216 -1.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 1.5589 -1.8769 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 1.3531 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 1.5964 0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3574 0.8040 -1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 0.5126 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 -0.0607 -1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 0.9601 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 0.4492 -3.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 -0.0060 -2.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9219 1.0665 -1.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0783 0.9177 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 -0.1028 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0855 -1.5157 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2849 -1.7277 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5694 -1.5017 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1011 -2.3673 0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3864 -2.6315 2.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3376 -3.4501 3.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6676 -4.7286 2.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5711 -5.6114 3.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8413 -7.7733 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6098 -7.9642 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3908 -8.4461 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2837 -5.6670 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8137 -6.2250 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1345 -6.7452 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4187 -5.9766 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6223 -4.5800 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8216 -4.3639 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7887 -3.8367 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7874 -3.6007 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2676 -2.0606 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1399 -2.1525 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3711 -1.2404 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6833 -0.1855 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7564 -1.3835 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5891 -2.4401 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9447 -0.6010 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -0.7708 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3196 1.1976 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3552 1.0051 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5405 2.9602 0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3842 1.7897 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1893 2.3172 0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5594 0.6084 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4672 0.9532 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0889 2.7421 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 1.4584 -2.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6353 1.1322 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 0.0422 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9742 -0.4404 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9688 2.3977 -0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0432 2.7853 -3.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9418 3.9574 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 4.4774 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 4.5756 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7212 4.0844 2.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 4.4683 3.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 2.1630 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 6.3522 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 7.5929 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 6.5718 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0288 8.5793 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6664 6.3564 -1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 6.4788 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 1.3464 -2.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1026 -0.1541 -2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5755 1.5251 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0407 -0.2114 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 1.4332 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 -0.4001 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 -0.9793 -2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4023 1.8895 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 1.3319 -3.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 -0.4814 -3.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7161 1.1577 -3.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 -0.4400 -2.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0076 -0.9070 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 1.3976 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1691 1.9606 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9927 0.8507 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2984 1.9186 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9614 0.0059 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1328 0.0096 1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1586 -1.9208 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2232 -2.1470 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1564 -1.0744 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1999 -2.7648 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6580 -0.4041 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3476 -1.4468 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1342 -2.0006 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2527 -3.3904 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5633 -3.4292 2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0349 -1.7755 2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6942 -3.7375 3.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2081 -2.8539 3.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 -5.2237 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2767 -4.5864 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4007 -4.9575 3.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9340 -5.9251 4.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9080 -6.4508 2.5925 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 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 18 32 1 0 32 33 1 0 33 34 2 0 33 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 30 21 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 1 17 82 1 0 18 83 1 1 19 84 1 0 19 85 1 0 21 86 1 1 23 87 1 1 24 88 1 0 24 89 1 0 25 90 1 0 26 91 1 6 27 92 1 0 28 93 1 1 29 94 1 0 30 95 1 6 31 96 1 0 32 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 51132 1 0 M END