LMST01010593 LIPID_MAPS_STRUCTURE_DATABASE 34 38 0 0 0 999 V2000 6.7391 7.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 12.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0543 12.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9192 11.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9192 10.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5036 11.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9639 8.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9639 9.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9682 11.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9682 10.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5029 9.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9126 8.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3478 7.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 8.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6187 7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6187 8.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4687 7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3228 9.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4687 9.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3313 7.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0606 10.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 7.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1854 10.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3313 8.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0480 7.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1938 9.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0649 8.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8885 13.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8667 13.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3667 12.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6975 11.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6234 14.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8153 13.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 4 3 1 6 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 8 7 1 6 0 0 0 10 9 1 1 0 0 0 12 11 1 0 0 0 0 5 11 1 0 0 0 0 8 12 1 0 0 0 0 10 8 1 0 0 0 0 5 10 1 0 0 0 0 16 15 1 0 0 0 0 17 15 1 0 0 0 0 20 16 1 0 0 0 0 21 13 1 1 0 0 0 21 17 1 0 0 0 0 23 21 1 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 19 1 1 0 0 0 25 20 1 0 0 0 0 25 21 1 0 0 0 0 10 22 1 0 0 0 0 26 23 1 0 0 0 0 27 14 1 6 0 0 0 27 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 0 0 0 0 28 27 1 0 0 0 0 28 8 1 0 0 0 0 2 29 1 6 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 2 1 0 0 0 30 33 1 0 0 0 30 34 1 0 0 0 M END > LMST01010593 > Superecdysone A > (20S,22R)-22,25-epoxy-3beta,14alpha-dihydroxy-5beta-cholest-7-en-6-one > C27H42O4 > 430.31 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > CTKBYYKSXYHLOB-XNSSJAPWSA-N > InChI=1S/C27H42O4/c1-16(23-9-10-24(2,3)31-23)18-8-13-27(30)20-15-22(29)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21,23,28,30H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,23+,25+,26+,27+/m0/s1 > O[C@@H]1C[C@@]2([C@@]([C@@]3(C([C@]4([C@](CC3)([C@@](CC4)([H])[C@@H]([C@H]3CCC(C)(C)O3)C)C)O)=CC2=O)[H])(CC1)C)[H] > - > - > - > ST 27:3;O4 > - > - > 171117800 > - > - > - > - > - > 288950 > 37178942 $$$$