Marvin 11301009392D 49 50 0 0 1 0 999 V2000 7.7015 -31.0419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7015 -31.8669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9870 -30.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -32.2794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2726 -31.0419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2726 -31.8669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4160 -30.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4160 -32.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 -33.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5581 -32.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5581 -30.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8436 -31.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1352 -31.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8449 -30.6127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5641 -31.0168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2737 -30.5960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9930 -31.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7025 -30.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4218 -30.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1314 -30.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8506 -30.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5602 -30.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2795 -30.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9890 -30.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7083 -30.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4179 -30.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1371 -30.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8468 -30.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5660 -30.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2756 -30.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8352 -29.3902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5464 -28.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 -29.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9753 -28.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6884 -29.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4043 -28.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1173 -29.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8333 -28.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5462 -29.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5447 -28.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5737 -31.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2641 -29.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2622 -28.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9752 -29.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6897 -28.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6897 -28.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9752 -27.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2607 -28.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4041 -27.7574 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 6 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 1 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 14 31 1 6 0 0 0 31 32 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 32 40 2 0 0 0 0 15 41 1 1 0 0 0 16 42 1 6 0 0 0 38 39 1 0 0 0 0 39 43 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 44 46 1 0 0 0 0 48 47 2 0 0 0 0 43 44 2 0 0 0 0 43 48 1 0 0 0 0 45 49 1 0 0 0 0 M END > CHEBI:60752 > 1-O-(alpha-D-galactopyranosyl)-N-[8-(4-fluorophenyl)octanoyl]phytosphingosine > A glycophytoceramide having an α-D-galactopyranosyl residue at the O-1 position and an 8-(4-fluorophenyl)octanoyl group attached to the nitrogen. > 3 > C8PhF; 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide > 8-(4-fluorophenyl)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]octanamide > C38H66FNO9 > 699.93030 > 699.47216 > 0 > CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCc1ccc(F)cc1 > InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 > FBUHIWMNUBFIJZ-ZORUMLJWSA-N > 18641305 > 18712867; 19732779 $$$$