LMST01010606 LIPID_MAPS_STRUCTURE_DATABASE 40 43 0 0 0 999 V2000 11.0537 8.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1835 9.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0368 7.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 8.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1751 10.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 7.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0494 10.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3218 7.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 9.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 9.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1751 6.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 8.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 7.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7365 9.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7323 7.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1751 8.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 6.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8994 8.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4892 9.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9560 10.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9560 11.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9517 9.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9517 8.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7646 11.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9060 10.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6342 11.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4981 12.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9060 11.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0421 12.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7700 12.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7700 13.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2262 12.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3622 10.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3622 11.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9060 12.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0922 11.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9582 12.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8242 11.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9582 13.0983 0.0000 C 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 29 36 1 1 0 0 33 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 M END > LMST01010606 > Inokosterone 26-acetate > 26-acetoxy-2beta,3beta,14alpha,20R,22R-pentahydroxy-5beta-cholest-7-en-6-one > C29H46O8 > 522.32 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > FARFYWFUAMLBAX-MXBZYAQHSA-N > InChI=1S/C29H46O8/c1-16(15-37-17(2)30)6-7-25(34)28(5,35)24-9-11-29(36)19-12-21(31)20-13-22(32)23(33)14-26(20,3)18(19)8-10-27(24,29)4/h12,16,18,20,22-25,32-36H,6-11,13-15H2,1-5H3/t16?,18-,20-,22+,23-,24-,25+,26+,27+,28+,29+/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(C)COC(C)=O)[H])=O > - > - > - > ST 29:3;O8 > - > - > 171117807 > - > - > - > - > - > 143210 > 6069381 $$$$