Mrv1572004261605372D 76 77 0 0 1 0 999 V2000 10.7171 3.7125 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 11.4315 4.1250 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 12.1460 3.7125 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 12.8605 4.1250 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 13.5749 3.7125 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 14.2894 4.1250 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 15.0039 3.7125 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 15.7184 4.1250 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 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 20.7197 8.6625 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 21.4341 9.0750 0.0000 C 0 0 2 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 21.4341 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1486 10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8631 7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8631 9.9000 0.0000 C 0 0 2 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 7.8375 0.0000 C 0 0 1 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 22.8631 9.0750 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 20.7197 7.8375 0.0000 O 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 20.7197 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 11.1375 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 23.5775 10.3125 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 22.1486 8.6625 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 23.5775 8.6625 0.0000 O 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 20.7197 9.4875 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 21.4341 10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8631 10.7250 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 22.1486 9.4875 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 23.5775 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 23.5775 9.4875 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 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 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 2 0 0 0 0 32 30 1 0 0 0 0 36 35 1 0 0 0 0 37 31 1 0 0 0 0 37 36 1 0 0 0 0 38 33 1 6 0 0 0 39 34 1 1 0 0 0 40 32 1 0 0 0 0 41 38 1 0 0 0 0 42 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 39 1 0 0 0 0 46 43 1 0 0 0 0 47 45 1 0 0 0 0 48 44 1 0 0 0 0 49 36 1 4 0 0 0 49 40 2 0 0 0 0 50 33 1 0 0 0 0 51 34 1 0 0 0 0 52 37 1 0 0 0 0 53 40 1 0 0 0 0 41 54 1 6 0 0 0 42 55 1 6 0 0 0 43 56 1 1 0 0 0 44 57 1 6 0 0 0 45 58 1 6 0 0 0 59 35 1 0 0 0 0 47 59 1 1 0 0 0 60 38 1 0 0 0 0 60 48 1 0 0 0 0 61 39 1 0 0 0 0 61 47 1 0 0 0 0 46 62 1 6 0 0 0 48 62 1 1 0 0 0 63 29 1 0 0 0 0 64 31 1 0 0 0 0 65 36 1 0 0 0 0 66 37 1 0 0 0 0 38 67 1 1 0 0 0 39 68 1 6 0 0 0 41 69 1 1 0 0 0 42 70 1 1 0 0 0 43 71 1 6 0 0 0 44 72 1 6 0 0 0 45 73 1 1 0 0 0 46 74 1 6 0 0 0 47 75 1 6 0 0 0 48 76 1 6 0 0 0 M END > CHEM035717 > chemdb > [H]\C(CCCCCCCCCCCCC)=C(\[H])C([H])(O)C([H])(CO[C@]1([H])O[C@]([H])(CO)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC > InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29+/t36?,37?,38-,39-,41+,42+,43-,44-,45-,46+,47-,48-/m1/s1 > VOZHMDQUIRUFQW-QMXMVKHPSA-N > C48H91NO13 > 890.25 > 889.649041994 > 14 > 153 > 107.77634987039704 > 0 > 9 > 0 > 0 > N-[(4E)-1-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid > 6.27 > 9.03242530933333 > -5.00 > 0 > 2 > 0 > 11.939338000391112 > 5.8112932365856915 > 2.59996375782802 > 231.34999999999994 > 240.32600000000008 > 38 > 0 > 8.94e-03 g/l > N-[(4E)-1-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid > 0 > Galabiosylceramide (d18:1/18:0) $$$$