HMDB0304489 RDKit 3D sphinganine (C20) 64 63 0 0 0 0 0 0 0 0999 V2000 6.1628 -0.3044 -2.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3249 -0.4695 -2.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 0.7049 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 0.9681 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0124 -0.2188 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -0.0132 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 0.2571 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 0.4439 1.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1592 0.7149 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 0.9145 2.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2284 -0.2766 2.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 -1.5232 2.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 -1.2759 1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -0.9230 2.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2536 -0.6915 1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 0.4301 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 0.8210 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7133 -0.2574 -1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1258 -1.3582 -0.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7152 0.1278 -2.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 -0.9763 -3.1849 N 0 0 0 0 0 1 0 0 0 0 0 0 -8.0598 0.5116 -1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9930 1.5768 -0.8201 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 -1.3258 -3.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 0.3721 -3.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 -0.0325 -2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 -1.3890 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2373 -0.5239 -2.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 1.6279 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4157 0.4848 -0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4655 1.2437 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 1.8202 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -1.1578 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8882 -0.3790 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 -0.9613 2.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 0.7711 2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 1.1676 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3218 -0.5940 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -0.4141 2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 1.3294 2.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 -0.1365 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 1.6493 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 1.7471 2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.1917 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.0658 3.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 -0.5295 3.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 -1.7730 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -2.3409 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1015 -2.2486 0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -0.5200 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 0.0408 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1578 -1.7699 2.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 -0.4365 2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 -1.6735 0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 1.3128 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 0.2262 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 1.6803 -1.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9581 1.2203 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8155 -0.6426 -1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 -1.7631 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3388 0.9760 -2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6390 0.9153 -2.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6468 -0.3291 -1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8314 2.0472 -0.7165 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 20 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 M CHG 1 21 1 M RAD 1 21 2 M END