LMSL05000004 LIPID_MAPS_STRUCTURE_DATABASE 43 44 0 0 0 999 V2000 22.1373 10.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1373 8.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4038 7.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6756 8.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4036 10.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9127 9.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2732 9.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2732 8.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4036 8.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5397 8.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5397 9.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6756 10.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7686 7.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5799 5.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7631 4.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1329 7.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0445 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8601 6.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7643 5.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8559 5.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0403 6.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1318 5.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0040 9.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8694 10.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7361 9.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6014 10.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8544 4.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7614 3.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0385 4.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1298 4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6321 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8282 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5603 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4263 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2923 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 12 1 0 0 0 11 5 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 1 0 0 7 1 1 1 0 0 8 2 1 6 0 0 9 3 1 1 0 0 10 4 1 6 0 0 21 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 6 0 0 17 2 1 1 0 0 18 13 1 6 0 0 19 14 1 6 0 0 20 15 1 1 0 0 1 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 15 27 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 29 30 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 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 30 1 0 0 0 M END > LMSL05000004 > > Butyl 4'-O-hexadecanoyl-neohesperidoside > C32H60O11 > 620.41 > Saccharolipids [SL] > Other acyl sugars [SL05] > > - > 1-O-(4-O-hexadecanoyl-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl)-butanol; Butyl 4-O-hexadecanoyl-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside > GSHHCUYNHSPHDT-BPSJUMPKSA-N > InChI=1S/C32H60O11/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24(34)42-29-22(3)40-31(28(38)27(29)37)43-30-26(36)25(35)23(21-33)41-32(30)39-20-7-5-2/h22-23,25-33,35-38H,4-21H2,1-3H3/t22-,23+,25+,26-,27-,28+,29-,30+,31-,32+/m0/s1 > O(CCCC)[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](OC(CCCCCCCCCCCCCCC)=O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1 > - > - > - > - > - > - > 101334561 > - > - > - > - > - > 1368246 > 15691016 $$$$