LMFA07011686 LIPID_MAPS_STRUCTURE_DATABASE 49 50 0 0 0 0 0 0 0 0999 V2000 17.7548 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6164 -6.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8870 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0188 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1506 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2824 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4141 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5460 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6778 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8095 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9414 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 -5.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -6.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0188 -4.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3690 -7.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3688 -9.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6379 -10.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7727 -7.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6368 -7.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5020 -7.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5033 -8.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6365 -9.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7711 -8.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1531 -4.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1531 -3.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2871 -4.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4211 -4.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 -4.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9210 -10.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5735 -12.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6945 -13.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2762 -10.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2139 -10.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9795 -11.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8076 -12.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8664 -12.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1007 -11.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2358 -7.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1010 -7.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2375 -8.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7725 -10.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7739 -11.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9058 -10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 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 4 20 1 6 0 0 0 24 29 1 0 0 0 29 28 1 0 0 0 28 27 1 0 0 0 27 26 1 0 0 0 26 25 1 0 0 0 25 24 1 0 0 0 26 21 1 6 0 0 27 22 1 1 0 0 28 23 1 6 0 0 25 2 1 1 0 0 20 30 1 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 38 43 1 0 0 0 43 42 1 0 0 0 42 41 1 0 0 0 41 40 1 0 0 0 40 39 1 0 0 0 39 38 1 0 0 0 40 35 1 6 0 0 41 36 1 1 0 0 42 37 1 6 0 0 39 22 1 1 0 0 21 44 1 0 0 0 44 45 2 0 0 0 44 46 1 0 0 0 23 47 1 0 0 0 47 48 2 0 0 0 47 49 1 0 0 0 M END > LMFA07011686 > Trollioester E > 3S-butyryloxy-1-O-[beta-D-xylopyranosyl-(1′′′->3′′)-2′′,4′′-di-O-acetyl-beta-D-xylopyranosyl]octadecan-3-ol > C36H64O13 > 704.43 > Fatty Acyls [FA] > Fatty esters [FA07] > Wax monoesters [FA0701] > - > > KKBLVPZFBHOJQB-NNNPTMEISA-N > InChI=1S/C36H64O13/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-27(48-30(40)19-6-2)21-22-43-36-34(47-26(4)38)33(29(24-45-36)46-25(3)37)49-35-32(42)31(41)28(39)23-44-35/h27-29,31-36,39,41-42H,5-24H2,1-4H3/t27-,28+,29+,31-,32+,33-,34+,35-,36+/m0/s1 > C(C[C@@H](OC(CCC)=O)CCCCCCCCCCCCCCC)O[C@@H]1OC[C@@H](OC(C)=O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC(C)=O > - > - > - > - > - > - > - > - > - > - > - > - > 78479 > 42960691 $$$$