Mrv0541 02231220002D 69 70 0 0 1 0 999 V2000 2.4543 -7.3959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4551 -8.2211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7338 -8.6337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7413 -6.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -8.2187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0291 -7.3911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1680 -8.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 -9.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3086 -8.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -6.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 -6.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 -6.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -5.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3157 -6.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5945 -6.9892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6019 -5.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8815 -6.5742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8897 -5.7467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0286 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5952 -7.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 -5.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -4.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 -5.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7451 -5.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 -5.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4598 -4.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7459 -4.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1734 -5.7490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8877 -5.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -4.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1748 -4.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -3.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 -2.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1754 -3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8909 -2.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6043 -3.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3198 -2.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0332 -3.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7487 -2.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4621 -3.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1776 -2.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8910 -3.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6066 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3200 -3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0355 -2.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6035 -5.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3166 -5.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 -5.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7455 -5.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 -5.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1744 -5.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8902 -5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6034 -5.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3191 -5.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0323 -5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7481 -5.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4612 -5.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1770 -5.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8901 -5.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6059 -5.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3191 -5.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0348 -5.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7480 -5.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4637 -5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1769 -5.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8601 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6022 -5.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2854 -5.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0275 -5.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 3 2 1 0 0 0 0 2 7 1 6 0 0 0 3 8 1 1 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 11 10 1 0 0 0 0 1 12 1 6 0 0 0 14 13 1 0 0 0 0 16 13 1 0 0 0 0 15 14 1 0 0 0 0 14 19 1 6 0 0 0 15 20 1 1 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 1 0 0 0 0 17 12 1 1 0 0 0 18 21 1 1 0 0 0 22 21 1 0 0 0 0 13 23 1 1 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 25 1 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 26 1 0 0 0 0 32 27 2 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 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 29 1 0 0 0 0 47 46 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 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 M END > BMDB0004841 > bmdb > CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC > InChI=1S/C55H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-47(60)56-43(44(59)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2)42-66-54-52(65)50(63)53(46(41-58)68-54)69-55-51(64)49(62)48(61)45(40-57)67-55/h36,38,43-46,48-55,57-59,61-65H,3-35,37,39-42H2,1-2H3,(H,56,60)/b38-36-/t43?,44?,45-,46-,48+,49+,50-,51-,52-,53+,54-,55-/m1/s1 > WPIHMWBQRSAMDE-JRHAWULRSA-N > C55H105NO13 > 988.4211 > 987.758592451 > 13 > 121.72404877497623 > 0 > 9 > 0 > 0 > N-[(4Z)-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]pentacosanamide > 7.55 > 11.324801837333332 > -5.72 > 0 > 2 > 0 > 12.442514639800741 > 11.920303071106915 > -2.9813779338405872 > 227.85999999999996 > 272.0113 > 45 > 0 > 1.88e-03 g/l > N-[(4Z)-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]pentacosanamide > 0 > BMDB0004841 > Galabiosylceramide (d18:1/25:0) > 1-O-(4-O-alpha-D-galactopyrnosyl-beta-D-galactopyranosyl)-Ceramide; 1-O-(4-O-alpha-delta-galactopyrnosyl-beta-delta-galactopyranosyl)-Ceramide; Digalactosylceramide; Gal-alpha1->4Gal-beta1->1'Cer $$$$