HMDB0000648 RDKit 3D Galactosylsphingosine 79 79 0 0 0 0 0 0 0 0999 V2000 9.2213 3.4177 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5787 2.0565 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 1.3184 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4865 -0.0402 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3021 -0.8329 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2516 -1.1916 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 -0.1719 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 -0.8691 -1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.8143 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 -1.1202 0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -2.0714 1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 -2.7571 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1189 -1.8021 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -1.0454 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 0.2615 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 1.0164 1.7483 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8031 2.1999 2.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8597 1.4399 1.2876 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8208 2.3210 0.1426 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 0.2513 0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0198 0.7571 0.7204 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9209 -0.2931 0.4327 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4266 -0.1690 -0.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7513 -0.5874 -0.9218 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1918 -0.6212 -2.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5175 -1.0401 -2.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6403 0.4335 -0.2214 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7517 1.5297 -1.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9735 0.8575 1.0537 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2102 2.0090 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0039 -0.1991 1.4974 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5815 -1.4113 1.7849 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 4.0778 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2682 3.3451 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0564 3.8132 -1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 1.4967 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 2.1430 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8475 1.2402 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6555 1.9319 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.6200 -0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1406 0.0969 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 -1.7799 1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -0.2975 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5752 -1.9385 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -1.8088 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8688 0.5795 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8608 0.4097 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -1.4548 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -0.1300 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 -2.1521 -1.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9965 -2.7101 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -0.2187 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 -0.7532 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -2.8674 1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 -1.5600 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 -3.4707 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1713 -3.3826 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -2.3910 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 -1.1388 -1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 -1.6390 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1718 0.8110 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6279 0.4435 2.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 2.8217 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 1.9915 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 1.7082 -0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 2.9526 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3494 -0.3769 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8524 -0.2976 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3952 -1.2778 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9027 -1.6120 -0.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1447 0.3905 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5900 -1.3201 -2.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6091 -1.8950 -2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6571 0.0440 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4433 2.3633 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6971 1.1199 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2297 2.6540 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5337 0.1843 2.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5561 -1.3580 1.8330 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 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 24 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 15 61 1 0 16 62 1 1 17 63 1 0 18 64 1 1 19 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 22 69 1 6 24 70 1 1 25 71 1 0 25 72 1 0 26 73 1 0 27 74 1 1 28 75 1 0 29 76 1 1 30 77 1 0 31 78 1 1 32 79 1 0 M END