HMDB0004610 RDKit 3D Phytosphingosine 61 60 0 0 0 0 0 0 0 0999 V2000 7.8720 1.8626 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6181 1.4573 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 0.8967 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 0.4790 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 -0.5915 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 -0.9896 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 -2.0555 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -2.5465 1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 -1.4609 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 -0.8735 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 0.2272 0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 -0.1772 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 -1.2591 0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 -0.9877 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 0.1975 -1.2546 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2571 0.2275 -2.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 0.0663 -0.6041 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1986 0.0466 0.7606 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2125 1.2783 -0.9428 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4228 1.3550 -2.3851 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5753 1.1984 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5362 1.1203 1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 2.8644 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 1.0880 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6838 1.9615 -2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9919 2.3767 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 0.7447 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7017 0.0909 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 1.7135 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1129 0.1288 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 1.3264 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5643 -1.4991 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5767 -0.1250 -0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -0.1323 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0319 -1.3406 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -2.9350 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -1.7344 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -3.3009 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1008 -3.0665 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 -0.6796 2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 -1.9498 2.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 -1.7112 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2848 -0.4842 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 0.6733 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 1.0255 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 -0.5010 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 0.7258 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 -2.2091 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -1.5549 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -1.8824 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 -0.9084 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 1.1627 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 0.4906 -3.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9236 -0.8128 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7527 -0.6299 1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 2.1816 -0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2618 1.9844 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6644 0.4367 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1077 2.1401 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1757 0.3637 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3662 1.4563 1.4813 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 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 1 16 53 1 0 17 54 1 6 18 55 1 0 19 56 1 1 20 57 1 0 20 58 1 0 21 59 1 0 21 60 1 0 22 61 1 0 M END