Mrv0541 02231219592D 66 67 0 0 1 0 999 V2000 4.5615 -10.1394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5623 -10.9646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8410 -11.3772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8485 -9.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -10.9621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1363 -10.1345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2753 -11.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8418 -12.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -11.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 -9.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -8.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2765 -9.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4222 -8.4949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4229 -9.3201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7017 -9.7326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7092 -8.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 -9.3177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9970 -8.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1359 -9.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 -10.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -8.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2784 -7.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1371 -8.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8524 -8.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5660 -8.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5671 -7.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8532 -6.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2807 -8.4925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9950 -8.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9946 -7.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2821 -6.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -6.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5692 -5.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2827 -6.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 -5.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7116 -6.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4271 -5.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1405 -6.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8560 -5.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5694 -6.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2849 -5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9983 -6.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7139 -5.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4273 -6.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1429 -5.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7020 -8.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4237 -8.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1308 -8.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8524 -8.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5594 -8.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2812 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9882 -8.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7098 -8.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4169 -8.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1386 -8.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8456 -8.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5673 -8.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2743 -8.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9960 -8.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7030 -8.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4247 -8.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1317 -8.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8534 -8.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5605 -8.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2821 -8.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9892 -8.7584 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 M END > BMDB0004836 > bmdb > CCCCCCCCCCCCCCCCCCCCCC(=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/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33-/t40?,41?,42-,43-,45+,46+,47-,48-,49-,50+,51-,52-/m1/s1 > QYWVASPEUXEHSY-XXHPVCCSSA-N > C52H99NO13 > 946.3414 > 945.711642259 > 13 > 115.26568489522012 > 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]docosanamide > 7.05 > 9.991095842333332 > -5.48 > 0 > 2 > 0 > 12.442514639800741 > 11.920303071106915 > -2.9813779338405872 > 227.85999999999996 > 258.2083 > 42 > 0 > 3.16e-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]docosanamide > 0 > BMDB0004836 > Galabiosylceramide (d18:1/22:0) > 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 $$$$