Marvin 11231212282D 34 34 0 0 0 0 999 V2000 4.9787 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4076 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.8979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2654 -12.3104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9800 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -11.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 -11.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -11.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -12.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -11.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -12.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -13.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9799 -14.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 -14.3731 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -12.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -11.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4090 -11.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4090 -11.0729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1234 -10.6604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8379 -11.0729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8379 -11.8979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1234 -12.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -10.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -9.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5524 -10.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5524 -12.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2669 -11.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 7 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 6 0 0 0 9 10 1 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 10 22 1 0 0 0 0 17 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 29 1 0 0 0 0 29 28 1 0 0 0 0 25 30 1 6 0 0 0 26 31 1 1 0 0 0 27 32 1 6 0 0 0 28 33 1 1 0 0 0 24 22 1 1 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:71068 > N-2-hydroxyhexadecatetraenoyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine > An N-acyl-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 16 carbons and 4 double bonds and is 2-hydroxylated. > 3 > 1-O-beta-D-glucosyl-N-2-hydroxyhexadecatetraenoyl-15-methylhexadecasphing-4-enine > C39H67NO9 > 693.952 > 693.48158 > 0 > CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC([*])=O $$$$