Mrv1652310011601122D 89 91 0 0 1 0 999 V2000 -13.5749 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 5.7750 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 -12.1460 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 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 -8.5737 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 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 -8.5737 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 5.7750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 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 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 18 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 2 0 0 0 0 27 25 1 0 0 0 0 32 3 1 4 0 0 0 33 31 1 0 0 0 0 34 26 1 0 0 0 0 34 33 1 0 0 0 0 35 28 1 6 0 0 0 36 29 1 6 0 0 0 37 30 1 1 0 0 0 38 27 1 0 0 0 0 40 35 1 0 0 0 0 41 39 1 0 0 0 0 41 40 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 37 1 0 0 0 0 46 43 1 0 0 0 0 47 36 1 0 0 0 0 47 42 1 0 0 0 0 48 39 1 0 0 0 0 49 44 1 0 0 0 0 50 45 1 0 0 0 0 51 32 2 0 0 0 0 39 51 1 1 0 0 0 33 52 1 1 0 0 0 52 38 2 0 0 0 0 53 28 1 0 0 0 0 54 29 1 0 0 0 0 55 30 1 0 0 0 0 56 32 1 0 0 0 0 34 57 1 6 0 0 0 38 58 1 4 0 0 0 40 59 1 6 0 0 0 41 60 1 1 0 0 0 42 61 1 6 0 0 0 43 62 1 1 0 0 0 44 63 1 6 0 0 0 45 64 1 6 0 0 0 65 31 1 0 0 0 0 49 65 1 6 0 0 0 66 35 1 0 0 0 0 66 48 1 0 0 0 0 67 36 1 0 0 0 0 67 49 1 0 0 0 0 68 37 1 0 0 0 0 68 50 1 0 0 0 0 46 69 1 6 0 0 0 48 69 1 6 0 0 0 47 70 1 6 0 0 0 50 70 1 1 0 0 0 71 24 1 0 0 0 0 72 26 1 0 0 0 0 33 73 1 1 0 0 0 34 74 1 6 0 0 0 35 75 1 1 0 0 0 36 76 1 1 0 0 0 37 77 1 6 0 0 0 39 78 1 6 0 0 0 40 79 1 1 0 0 0 41 80 1 1 0 0 0 42 81 1 1 0 0 0 43 82 1 6 0 0 0 44 83 1 1 0 0 0 45 84 1 1 0 0 0 46 85 1 6 0 0 0 47 86 1 6 0 0 0 48 87 1 1 0 0 0 49 88 1 1 0 0 0 50 89 1 6 0 0 0 M END > BMDB0004888 > bmdb > [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@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCC > InChI=1S/C50H92N2O18/c1-4-6-8-10-12-14-15-16-17-19-20-22-24-26-34(57)33(52-38(58)27-25-23-21-18-13-11-9-7-5-2)31-65-49-44(63)42(61)47(36(29-54)67-49)70-50-45(64)43(62)46(37(30-55)68-50)69-48-39(51-32(3)56)41(60)40(59)35(28-53)66-48/h24,26,33-37,39-50,53-55,57,59-64H,4-23,25,27-31H2,1-3H3,(H,51,56)(H,52,58)/b26-24+/t33-,34+,35+,36+,37+,39+,40-,41+,42+,43+,44-,45+,46-,47+,48-,49+,50-/m0/s1 > XXEIIEJSVKUHCZ-HRPSYJBVSA-N > C50H92N2O18 > 1009.282 > 1008.63451413 > 20 > 162 > 114.49600271894663 > 0 > 12 > 0 > 0 > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidic acid > 3.84 > 5.125746607000003 > -4.41 > 1 > 3 > 0 > 6.017377972785326 > 5.3890191894421156 > 2.599524354210637 > 322.86000000000007 > 256.75630000000007 > 36 > 0 > 3.92e-02 g/l > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanimidic acid > 0 > BMDB0004888 > Ganglioside GA2 (d18:1/12:0) > Asialo GM2; Bissulfogangliotetraosylceramide; G(A2) Ganglioside; GA2; GA2 Ganglioside; GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer; Ganglio-N-triaosylceramide; Gangliotriosylceramide; Glycolipid G $$$$