LMST01160031 LIPID_MAPS_STRUCTURE_DATABASE 40 46 0 0 0 999 V2000 20.9311 5.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5833 4.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8263 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7047 4.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8263 4.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5065 4.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5146 5.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7047 2.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5833 3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6885 5.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5995 6.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9194 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8263 5.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9194 4.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5224 7.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0003 3.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0003 4.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6080 5.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6795 4.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4338 6.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3448 5.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3367 4.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5330 4.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8340 2.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5833 2.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5957 7.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2146 6.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4414 7.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3113 8.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5793 8.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3113 9.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1773 9.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0434 9.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0433 8.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1773 7.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3234 7.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0433 10.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6773 10.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0434 9.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9094 7.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 18 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 6 0 0 0 5 13 1 1 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 1 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 16 17 2 0 0 0 0 7 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 6 22 1 0 0 0 6 23 1 6 0 0 0 3 24 1 6 0 0 8 25 1 6 0 0 9 25 1 6 0 0 11 26 2 0 0 0 21 27 2 0 0 0 20 28 2 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 29 31 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 29 1 0 0 0 29 36 1 6 0 0 33 37 1 6 0 0 32 37 1 6 0 0 32 38 1 0 0 0 33 39 1 0 0 0 34 40 2 0 0 0 M END > LMST01160031 > Acutifolactone > (22R,24S,25S)-5alpha-hydroxy-7alpha,8alpha;24alpha,25alpha-diepoxy-1,12,16-trioxowitha-2,17(20)-dienolide > C28H32O8 > 496.21 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > ZHKCPWIMFGFTGL-ZRKMWVMKSA-N > InChI=1S/C28H32O8/c1-12(16-11-24(2)27(5,36-24)23(32)34-16)20-15(29)9-13-19-14(10-18(31)25(13,20)3)26(4)17(30)7-6-8-28(26,33)22-21(19)35-22/h6-7,13-14,16,19,21-22,33H,8-11H2,1-5H3/b20-12+/t13-,14-,16+,19-,21-,22-,24-,25+,26-,27+,28-/m0/s1 > O=C1C=CC[C@]2(O)[C@H]3O[C@H]3[C@@]3([H])[C@]4([H])CC(=O)/C(=C(/C)\[C@]5([H])OC(=O)[C@@]6(C)O[C@@]6(C)C5)/[C@@]4(C)C(=O)C[C@]3([H])[C@]21C > - > - > - > ST 28:9;O8 > - > - > 164621904 > - > - > - > - > - > 304134 > 33586438 $$$$