HMDB0245914 RDKit 3D 3-Ketosphingosine 56 55 0 0 0 0 0 0 0 0999 V2000 8.0749 0.4797 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8797 -0.8655 -0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 -1.4559 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 -0.5554 -0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -1.2044 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -0.2445 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 -0.8602 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 0.0038 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6351 1.3640 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 2.2640 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 1.7451 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9133 1.5227 1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 0.9973 2.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5907 -0.2665 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -0.5349 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 0.3281 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 1.5134 0.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5628 -0.2474 -0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4954 0.8202 -1.3215 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4271 -1.3067 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7324 -2.4045 0.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1692 0.6868 -0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 0.4519 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5906 1.2968 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6899 -1.5391 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9092 -0.7526 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4098 -2.4697 -0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5673 -1.5100 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 0.4174 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -0.4321 -1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -1.2450 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -2.1900 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 -0.1085 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2072 0.6890 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 -1.0068 0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6073 -1.8734 -0.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.5388 -0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 0.1514 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 1.8476 -0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 1.2809 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2903 3.2594 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 2.4013 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0452 0.8002 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6037 2.5102 0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 0.8271 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 2.5034 2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2855 0.7897 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0767 1.7346 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9086 -1.1181 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5557 -1.5733 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0185 -0.5827 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1526 0.3656 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9806 1.5540 -1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1873 -1.5869 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9297 -0.8000 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2042 -2.7828 0.9656 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 3 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 M END