Mrv1572004261618582D 70 70 0 0 1 0 999 V2000 8.5737 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7235 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4367 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7223 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8644 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1499 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 7.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8631 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8631 6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5775 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5775 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4354 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7210 4.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0065 4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2920 8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 17 2 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 16 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 38 1 0 0 0 0 43 42 1 0 0 0 0 44 39 1 0 0 0 0 44 43 1 0 0 0 0 45 41 1 1 0 0 0 46 40 1 0 0 0 0 47 45 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 43 1 4 0 0 0 51 46 2 0 0 0 0 52 41 1 0 0 0 0 53 44 1 0 0 0 0 54 46 1 0 0 0 0 47 55 1 1 0 0 0 48 56 1 6 0 0 0 49 57 1 6 0 0 0 58 42 1 0 0 0 0 50 58 1 1 0 0 0 59 45 1 0 0 0 0 59 50 1 0 0 0 0 60 17 1 0 0 0 0 61 18 1 0 0 0 0 62 37 1 0 0 0 0 63 39 1 0 0 0 0 64 43 1 0 0 0 0 65 44 1 0 0 0 0 45 66 1 6 0 0 0 47 67 1 6 0 0 0 48 68 1 6 0 0 0 49 69 1 1 0 0 0 50 70 1 6 0 0 0 M END > CHEM039926 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCCCC(O)=NC([H])(CO[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC > InChI=1S/C50H95NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,37,39,43-45,47-50,52-53,55-57H,3-16,19-36,38,40-42H2,1-2H3,(H,51,54)/b18-17+,39-37+/t43?,44?,45-,47+,48+,49-,50-/m1/s1 > LVROXDRMMJVBGH-ATTIOLSFSA-N > C50H95NO8 > 838.309 > 837.705769023 > 9 > 154 > 107.99778169086358 > 0 > 6 > 0 > 0 > (17E)-N-[(4E)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]hexacos-17-enimidic acid > 9.31 > 13.997888618333338 > -6.45 > 0 > 1 > 0 > 12.20613392405592 > 5.813854553241642 > 2.7207933676967873 > 152.2 > 245.83730000000006 > 42 > 0 > 2.97e-04 g/l > (17E)-N-[(4E)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]hexacos-17-enimidic acid > 0 > Galactosylceramide (d18:1/26:1(17Z)) $$$$