LMST01031154 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 999 V2000 8.3217 8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 7.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 6.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3217 6.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 6.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 6.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 6.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 7.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 7.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 10.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0926 9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0926 8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9782 8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9782 9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0355 10.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0926 10.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 8.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0355 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1490 11.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7897 11.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5439 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2981 11.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0520 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6461 10.3645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0355 11.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7047 6.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1866 7.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1201 7.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0126 6.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7897 12.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9454 12.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1728 8.5959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 9.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0519 9.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9145 11.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7769 10.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9087 12.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 20 21 1 6 0 0 17 26 1 6 0 0 20 27 1 1 0 0 3 28 1 1 0 0 9 29 1 6 0 0 14 30 1 6 0 0 7 31 1 6 0 0 22 32 1 6 0 0 24 33 1 4 0 0 8 34 1 1 0 0 1 35 1 6 0 0 25 36 2 0 0 0 25 37 1 0 0 0 37 38 1 0 0 0 24 39 1 0 0 0 M END > LMST01031154 > Daturmeteside B > 25-methylene-ergosta-5-en-1alpha,3beta,7alpha,22R,24,26-hexol > C28H46O6 > 478.33 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > > RSZNMUICZWIHIL-SFRSOKMYSA-N > InChI=1S/C28H46O6/c1-15(14-29)27(4,34)13-23(32)16(2)19-6-7-20-25-21(8-9-26(19,20)3)28(5)17(11-22(25)31)10-18(30)12-24(28)33/h11,16,18-25,29-34H,1,6-10,12-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27?,28-/m0/s1 > [C@@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@H](O)CC(C)(O)C(CO)=C)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O)C1 > - > - > - > ST 28:2;O6 > - > - > 171120006 > - > - > - > - > - > 35625 > 31982422 $$$$