LMSP01080081 LIPID_MAPS_STRUCTURE_DATABASE 45 45 0 0 0 999 V2000 -28.9547 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.0873 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.2194 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -26.3515 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.4836 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.6158 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.7479 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.8800 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.0121 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1443 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2765 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4086 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5408 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6729 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8050 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9371 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0693 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2014 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3335 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4656 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5978 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7299 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8620 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9942 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1263 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2584 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 -0.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5228 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.0874 -1.7455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -27.2194 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3905 0.7511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2584 -1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6587 -0.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6445 -2.2437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9043 -3.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1837 -2.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9254 -0.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4306 -0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -1.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 -2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 -1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2765 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 2 29 1 1 0 0 3 30 1 1 0 0 27 31 1 1 0 0 26 32 1 6 0 0 28 33 1 0 0 0 38 44 1 0 0 0 43 37 1 0 0 0 37 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 6 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 42 36 1 1 0 0 11 45 2 0 0 0 M END > LMSP01080081 > Calyxoside > (2S,27S-Diamino-3R,26S-dihydroxy-18-oxooctacosyl)beta-D-glucopyranoside > C34H68N2O9 > 648.49 > Sphingolipids [SP] > Sphingoid bases [SP01] > Sphingoid base analogs [SP0108] > - > > DVBWWNHCQFZFCN-LQQLXRTJSA-N > InChI=1S/C34H68N2O9/c1-25(35)28(39)21-17-14-10-12-16-20-26(38)19-15-11-8-6-4-2-3-5-7-9-13-18-22-29(40)27(36)24-44-34-33(43)32(42)31(41)30(23-37)45-34/h25,27-34,37,39-43H,2-24,35-36H2,1H3/t25-,27-,28-,29+,30+,31+,32-,33+,34+/m0/s1 > C[C@H](N)[C@@H](O)CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 10484369 > - > - > - > - > - > 2622159 > - $$$$