Mrv0541 02231219592D 68 69 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 -10.9622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1363 -10.1346 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 -11.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 -9.7196 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 -8.4950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4230 -9.3201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7017 -9.7327 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 -6.8419 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 10.9947 -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 9.5693 -5.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2827 -6.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 -5.6090 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 13.8561 -5.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5695 -6.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2850 -5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9984 -6.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7140 -5.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4274 -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 11.7097 -8.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4240 -8.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1386 -8.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8529 -8.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5675 -8.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2818 -8.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 -8.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7108 -8.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4255 -8.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1397 -8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8544 -8.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5687 -8.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2833 -8.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9976 -8.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7123 -8.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7126 -9.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4273 -9.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4276 -10.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1423 -10.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1426 -11.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8573 -12.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8546 -13.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5677 -13.4390 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 2 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 M END > BMDB0004837 > 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)CCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C54H101NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-46(59)55-42(43(58)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)41-65-53-51(64)49(62)52(45(40-57)67-53)68-54-50(63)48(61)47(60)44(39-56)66-54/h17-18,35,37,42-45,47-54,56-58,60-64H,3-16,19-34,36,38-41H2,1-2H3,(H,55,59)/b18-17-,37-35-/t42?,43?,44-,45-,47+,48+,49-,50-,51-,52+,53-,54-/m1/s1 > MKOKWBRPIBQYJJ-VVCWLIQZSA-N > C54H101NO13 > 972.3786 > 971.727292323 > 13 > 117.90160741129819 > 0 > 9 > 0 > 0 > (15Z)-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]tetracos-15-enamide > 7.41 > 10.518311515666667 > -5.63 > 0 > 2 > 0 > 12.442514639800741 > 11.920303071106915 > -2.9813779338405872 > 227.85999999999996 > 268.5269 > 43 > 0 > 2.29e-03 g/l > (15Z)-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]tetracos-15-enamide > 0 > BMDB0004837 > Galabiosylceramide (d18:1/24:1(15Z)) > 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(d18:1/24:1 $$$$