Mrv0541 02231220002D 70 71 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 -8.2186 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 -8.6288 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 -6.1163 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 -6.9916 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 -4.4719 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 -3.2872 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 9.5994 -5.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3166 -5.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0283 -5.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7455 -5.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4572 -5.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1744 -5.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8861 -5.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6033 -5.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3150 -5.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0322 -5.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7439 -5.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4611 -5.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1728 -5.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8899 -5.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6017 -5.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3188 -5.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0306 -5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9784 -6.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6653 -7.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6131 -7.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3001 -8.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2478 -9.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9347 -9.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8825 -10.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5695 -10.9491 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 2 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 70 69 1 0 0 0 0 M END > BMDB0004838 > bmdb > CCCCCCCCCCCCC\C=C/C(O)C(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)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37-/t44?,45?,46-,47-,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1 > ZUFRMROYCSRBIP-SBLSQNJZSA-N > C56H105NO13 > 1000.4318 > 999.758592451 > 13 > 122.29628445702596 > 0 > 9 > 0 > 0 > (17Z)-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]hexacos-17-enamide > 7.70 > 11.407448845666666 > -5.71 > 0 > 2 > 0 > 12.442514639800741 > 11.920303071106915 > -2.9813779338405872 > 227.85999999999996 > 277.7289 > 45 > 0 > 1.93e-03 g/l > (17Z)-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]hexacos-17-enamide > 0 > BMDB0004838 > Galabiosylceramide (d18:1/26:1(17Z)) > 1-O-(4-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)-Ceramide; 1-O-(4-O-alpha-delta-galactopyranosyl-beta-delta-galactopyranosyl)-Ceramide; Digalactosylceramide; Gal-alpha1->4Gal-beta1->1'Cer(d18:1/26:1 $$$$