Mrv0541 02231219592D 62 63 0 0 1 0 999 V2000 6.5594 -10.1393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5601 -10.9644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8389 -11.3771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8463 -9.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1259 -10.9620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1341 -10.1344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2731 -11.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -12.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 -11.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 -9.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 -8.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2743 -9.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 -8.4949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4207 -9.3200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6995 -9.7325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7069 -8.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9865 -9.3176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9948 -8.4900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1337 -9.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7002 -10.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2818 -8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2762 -7.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1349 -8.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8502 -8.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5638 -8.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5649 -7.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8509 -6.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2785 -8.4924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9927 -8.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 -7.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2798 -6.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8520 -6.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5670 -5.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2804 -6.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9959 -5.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7093 -6.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4248 -5.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 -6.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8538 -5.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5672 -6.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2827 -5.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9961 -6.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7116 -5.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4250 -6.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1405 -5.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6998 -8.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4215 -8.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1285 -8.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8501 -8.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5572 -8.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2788 -8.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9859 -8.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7076 -8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4146 -8.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1362 -8.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8433 -8.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5650 -8.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2720 -8.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9937 -8.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7007 -8.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4223 -8.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1294 -8.7076 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 M END > BMDB0004834 > bmdb > CCCCCCCCCCCCCCCCCC(=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/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-NVIQELJCSA-N > C48H91NO13 > 890.235 > 889.649042003 > 13 > 106.74548184863522 > 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]octadecanamide > 6.26 > 8.212821182333329 > -5.10 > 0 > 2 > 0 > 12.442514639800741 > 11.920303071106915 > -2.9813779338405872 > 227.85999999999996 > 239.8043 > 38 > 0 > 7.07e-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]octadecanamide > 0 > BMDB0004834 > Galabiosylceramide (d18:1/18:0) > 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 $$$$