Mrv1572004261618582D 68 68 0 0 1 0 999 V2000 7.1447 9.9000 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 7.1447 9.0750 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 7.8592 8.6625 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 7.8592 7.8375 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 8.5737 7.4250 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 8.5737 6.6000 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 9.2881 6.1875 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 9.2881 5.3625 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 10.0026 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 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 27.1499 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 26.4354 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 25.7210 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 25.0065 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 24.2920 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 23.5775 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 22.8631 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 22.1486 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 4.9500 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 22.1486 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 7.4250 0.0000 C 0 0 2 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 20.7197 7.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0052 7.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0052 6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7197 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7197 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5775 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 4.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 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 16 1 0 0 0 0 26 24 1 0 0 0 0 27 25 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 2 0 0 0 0 38 36 1 0 0 0 0 41 40 1 0 0 0 0 42 37 1 0 0 0 0 42 41 1 0 0 0 0 43 39 1 1 0 0 0 44 38 1 0 0 0 0 45 43 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 41 1 4 0 0 0 49 44 2 0 0 0 0 50 39 1 0 0 0 0 51 42 1 0 0 0 0 52 44 1 0 0 0 0 45 53 1 1 0 0 0 46 54 1 6 0 0 0 47 55 1 6 0 0 0 56 40 1 0 0 0 0 48 56 1 1 0 0 0 57 43 1 0 0 0 0 57 48 1 0 0 0 0 58 17 1 0 0 0 0 59 18 1 0 0 0 0 60 35 1 0 0 0 0 61 37 1 0 0 0 0 62 41 1 0 0 0 0 63 42 1 0 0 0 0 43 64 1 6 0 0 0 45 65 1 6 0 0 0 46 66 1 6 0 0 0 47 67 1 1 0 0 0 48 68 1 6 0 0 0 M END > CHEM039925 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCC(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/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17+,37-35+/t41?,42?,43-,45+,46+,47-,48-/m1/s1 > WBOZIXHPUPAOIA-WEOKBHCDSA-N > C48H91NO8 > 810.255 > 809.674468894 > 9 > 148 > 103.6791010746681 > 0 > 6 > 0 > 0 > (15E)-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]tetracos-15-enimidic acid > 9.09 > 13.108751288333336 > -6.34 > 0 > 1 > 0 > 12.20613392405592 > 5.813854553241642 > 2.7207933676967873 > 152.2 > 236.63530000000006 > 40 > 0 > 3.71e-04 g/l > (15E)-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]tetracos-15-enimidic acid > 0 > Galactosylceramide (d18:1/24:1(15Z)) $$$$