HMDB0004970 RDKit 3D GlcCer(d18:1/9Z-18:1) 130130 0 0 0 0 0 0 0 0999 V2000 8.4452 -2.6714 3.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8752 -1.4117 2.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8314 -0.7815 1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1946 0.4962 0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1049 1.0889 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 2.3637 -0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2511 2.1089 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 3.3454 -2.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3634 2.8365 -2.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 3.2529 -2.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 4.3262 -1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1148 5.4384 -2.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8004 4.8470 -2.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 5.8661 -3.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 5.2050 -3.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 4.0543 -4.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 3.3226 -4.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 2.7281 -3.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 3.1197 -2.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9703 1.6651 -3.7385 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4547 1.1051 -2.4725 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6891 0.3104 -2.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3362 -0.7166 -3.6525 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 -1.4709 -3.9107 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1849 -2.8181 -3.5912 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4152 -3.4678 -3.4750 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1282 -4.8431 -2.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3003 -5.5585 -3.7403 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9792 -3.6393 -4.8718 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2890 -4.0916 -4.7598 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9718 -2.3725 -5.6591 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9940 -2.7157 -7.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8501 -1.4381 -5.3676 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3232 -0.1372 -5.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 0.1915 -2.0168 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1300 -0.8069 -2.9031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 -0.1664 -0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -1.2465 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9614 -1.7278 1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 -0.8709 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 0.3959 2.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 0.2559 3.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 -0.4705 4.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 0.2115 5.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 -0.4372 6.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -1.8552 7.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9445 -2.1112 6.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -3.5835 6.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3232 -4.5105 6.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -4.4371 4.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5936 -4.6978 3.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5038 -2.7998 2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 -3.5677 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3959 -2.5628 4.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 -0.6736 3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9325 -1.6918 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0599 -1.4921 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7455 -0.5213 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1036 1.1898 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1940 0.2281 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0984 1.2440 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2127 0.3114 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3201 2.7563 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 3.0967 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 1.6230 -0.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4470 1.4080 -2.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3106 3.5705 -2.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 4.1576 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 2.0178 -3.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3433 2.7363 -2.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2397 4.0361 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7949 4.8164 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 5.7571 -3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 6.2744 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 4.5614 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9348 3.9305 -3.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 6.2069 -4.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 6.7343 -2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 6.0250 -4.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 5.1056 -2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 4.3911 -5.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 3.3178 -4.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.5151 -5.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2607 4.0037 -5.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 1.3151 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 1.8651 -1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 -0.1919 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5085 0.9060 -3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 -1.0776 -3.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0659 -2.8560 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6046 -4.6661 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0864 -5.3391 -2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3457 -5.3600 -3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 -4.4056 -5.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6115 -3.8755 -3.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9404 -1.8355 -5.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5211 -3.5159 -7.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 -1.5984 -6.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6518 0.4314 -6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 0.8611 -2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 -1.1509 -2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 0.5245 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -1.9291 -0.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -1.9057 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3929 -2.7718 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6362 -1.5185 3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6219 -0.6114 2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 1.0130 3.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 1.0230 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 1.2694 3.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 -0.3361 2.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 -0.3875 4.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -1.5297 4.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 1.2755 5.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 0.3239 5.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -0.4210 7.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 0.1346 7.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 -2.4702 6.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 -2.2749 8.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 -1.5835 7.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1733 -1.7708 5.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3026 -3.8058 6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1215 -3.8470 7.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 -5.5570 6.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2681 -4.4865 6.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7571 -3.5507 4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -5.3000 4.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4726 -4.7324 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -4.0031 4.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 -5.7273 4.1576 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 2 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 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 21 35 1 0 35 36 1 0 35 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 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 33 24 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 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 20 85 1 0 21 86 1 1 22 87 1 0 22 88 1 0 24 89 1 1 26 90 1 1 27 91 1 0 27 92 1 0 28 93 1 0 29 94 1 6 30 95 1 0 31 96 1 1 32 97 1 0 33 98 1 6 34 99 1 0 35100 1 1 36101 1 0 37102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 51130 1 0 M END