LMST04030265 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 999 V2000 11.0543 8.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1840 9.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0374 7.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 8.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 10.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1924 7.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 10.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3223 7.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 9.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 9.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4605 7.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 8.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6114 7.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7368 9.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.2816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 8.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 6.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9002 8.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4900 9.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9567 10.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9567 11.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9524 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9524 8.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 11.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 10.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6350 11.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4990 12.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 11.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0428 12.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7708 12.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7708 13.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2272 12.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3631 10.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3631 11.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2272 11.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0932 11.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2272 13.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 12.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 6 0 0 0 3 6 1 0 0 0 0 21 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 1 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 1 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 1 0 0 0 13 14 1 0 0 0 0 14 16 1 1 0 0 0 26 21 1 0 0 0 0 21 23 1 0 0 0 0 23 19 1 0 0 0 0 26 20 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 1 0 0 0 23 24 1 6 0 0 0 26 25 1 6 0 0 0 26 29 1 0 0 0 0 29 31 1 0 0 0 0 31 27 1 0 0 0 0 27 28 1 0 0 0 0 28 35 1 0 0 0 0 29 30 1 6 0 0 0 31 32 1 6 0 0 0 35 33 1 0 0 0 0 35 34 1 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 33 38 2 0 0 0 29 39 1 1 0 0 M END > LMST04030265 > 20-Hydroxyecdysonic acid > 6-oxo-2beta,3beta,14alpha,20R,22R,25-hexahydroxy-5beta-cholest-7-en-26-oic acid > C27H42O9 > 510.28 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > > CBVIQTRBPLDFEH-KIZORZRKSA-N > InChI=1S/C27H42O9/c1-23-13-19(30)18(29)12-16(23)17(28)11-15-14(23)5-8-24(2)20(6-10-27(15,24)36)26(4,35)21(31)7-9-25(3,34)22(32)33/h11,14,16,18-21,29-31,34-36H,5-10,12-13H2,1-4H3,(H,32,33)/t14-,16-,18+,19-,20-,21+,23+,24+,25?,26+,27+/m0/s1 > C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)CCC(O)(C)C(=O)O)[H])=O > - > - > - > ST 27:3;O9 > - > - > 101917951 > - > - > - > - > - > 7010 > 6684422 $$$$