HMDB0038057 RDKit 3D Dehydrophytosphingosine 59 58 0 0 0 0 0 0 0 0999 V2000 7.5386 -2.4074 1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -1.0880 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8473 -1.3156 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 -0.0570 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3326 0.5533 0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 1.8240 0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5732 1.9836 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 1.8745 -1.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 2.0997 -2.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 1.0697 -2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.4040 -1.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 0.3490 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8802 0.5275 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8541 -0.4054 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2368 -0.3914 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 -0.7118 -1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0938 -1.2591 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7537 -2.6041 0.9153 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5611 -1.1544 0.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3420 -1.9462 1.6327 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1029 0.2447 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4661 0.1581 0.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 -2.3775 2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 -3.2443 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3381 -2.6147 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6747 -0.4341 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 -0.5749 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2998 -1.7149 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -2.0768 0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 0.6073 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 -0.4864 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -0.1934 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9531 0.5948 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 2.2378 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 2.6000 0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 1.2757 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 3.0012 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5061 2.7766 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 0.9932 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2091 3.0989 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 2.0446 -3.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 0.0073 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 2.4540 -1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 0.4307 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -0.6246 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 0.3468 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 1.5857 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -1.4322 0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9272 -0.1174 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 0.6527 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0636 -0.2615 -1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9572 -0.9505 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 -2.9121 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8006 -1.5807 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3121 -1.4231 2.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8505 -2.8812 1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0589 0.6255 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6588 0.9299 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7479 0.8896 -0.1968 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 2 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 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 17 52 1 0 18 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 M END