LMFA13020004 LIPID_MAPS_STRUCTURE_DATABASE 47 48 0 0 0 0 0 0 0 0999 V2000 11.2701 9.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9845 10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6990 9.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4135 10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1280 9.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8424 10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5569 9.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2714 10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9858 9.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7003 10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4148 9.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1293 10.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8437 9.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1293 11.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2701 8.9601 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9846 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6990 8.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4135 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1280 8.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8425 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5569 8.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2714 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9859 8.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7003 8.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1267 8.5476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8411 8.9601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8411 9.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 10.1975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4122 9.7850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4122 8.9600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6978 8.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6977 10.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 11.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 11.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5556 8.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1267 7.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4123 7.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4123 6.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6979 6.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9834 6.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9833 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6978 7.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 7.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 6.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6979 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1268 6.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.3098 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 12 14 2 0 0 0 0 1 15 1 0 0 0 0 15 35 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 1 0 0 0 29 32 1 6 0 0 0 28 33 1 1 0 0 0 33 34 1 0 0 0 0 26 35 1 1 0 0 0 25 36 1 6 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 37 42 1 0 0 0 0 41 43 1 1 0 0 0 40 44 1 6 0 0 0 39 45 1 1 0 0 0 38 46 1 6 0 0 0 43 47 1 0 0 0 0 M END > LMFA13020004 > 13-sophorosyloxydocosanoic acid > 13-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]docosanoic acid > C34H64O13 > 680.43 > Fatty Acyls [FA] > Fatty acyl glycosides [FA13] > Sophorolipids [FA1302] > - > > OAKLJPBSRRDONB-FCILMWLFSA-N > InChI=1S/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,(H,37,38)/t23?,24-,25-,27-,28-,29+,30+,31-,32-,33+,34-/m1/s1 > C(C(CCCCCCCCC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CCCCCCCCCCC(=O)O > C18191 > - > 26723 > - > - > - > 25058164 > - > - > - > - > - > - > - $$$$