LMST01020125 LIPID_MAPS_STRUCTURE_DATABASE 56 59 0 0 0 999 V2000 8.4855 8.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5512 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5512 6.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4855 6.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 6.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2878 6.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 8.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 9.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2878 9.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 9.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 8.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0898 8.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0898 9.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 9.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 10.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 8.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 10.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2775 10.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9029 11.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6501 10.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 11.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1445 10.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2216 7.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7604 10.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 11.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3536 7.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 11.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7322 6.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4197 6.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1445 9.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9888 9.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8921 11.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8261 10.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2878 7.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2878 8.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 6.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 7.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 6.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 6.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 6.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6159 6.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1379 7.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 7.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7683 7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 7.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5219 7.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3988 7.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2755 8.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1522 8.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0290 8.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9060 8.6828 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 6.1157 0.0000 C 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 30 1 0 0 0 0 30 5 2 0 0 0 0 5 6 1 0 0 0 0 35 6 1 0 0 0 0 35 7 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 0 0 0 0 15 18 1 0 0 0 0 18 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 33 1 0 0 0 0 23 31 1 0 0 0 0 8 1 1 0 0 0 0 30 8 1 0 0 0 0 7 8 1 0 0 0 0 35 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 1 0 0 0 8 17 1 1 0 0 0 18 19 1 0 0 0 0 12 24 1 6 0 0 0 15 25 1 6 0 0 0 18 26 1 1 0 0 0 7 27 1 6 0 0 0 22 28 2 0 0 0 0 3 29 1 1 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 1 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 43 44 3 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 3 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 37 29 1 0 0 0 0 42 56 1 0 0 0 56 43 1 0 0 0 0 M END > LMST01020125 > Xestosteryl 18-bromooctadeca-9E,17E-diene-7,15-diynoate > 24-methylene,26,27-dimethylcholest-5-en-3beta-yl 18-bromooctadeca-9E,17E-diene-7,15-diynoate > C48H71O2Br > 758.46 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > > OGACQKIAHFIJBZ-LDPNYWCRSA-N > InChI=1S/C48H71BrO2/c1-7-39(8-2)37(3)25-26-38(4)43-29-30-44-42-28-27-40-36-41(31-33-47(40,5)45(42)32-34-48(43,44)6)51-46(50)24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-35-49/h9-10,23,27,35,38-39,41-45H,3,7-8,11,13,15-18,20,22,24-26,28-34,36H2,1-2,4-6H3/b10-9+,35-23+/t38-,41+,42+,43-,44+,45+,47+,48-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(CC)CC)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](OC(CCCCCC#C/C=C/CCCCC#C/C=C/Br)=O)C1 > - > - > - > - > - > - > 11803265 > - > - > - > - > - > 178554 > 10543913 $$$$