LMST01100023 LIPID_MAPS_STRUCTURE_DATABASE 57 65 0 0 0 999 V2000 10.0238 7.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8467 7.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3783 9.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5554 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0238 9.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8467 10.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0238 10.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1315 9.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9033 6.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3783 7.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6336 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2011 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2011 9.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8467 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8467 9.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 9.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 8.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7502 11.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5730 11.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3957 11.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5730 10.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4907 10.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 10.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6694 11.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2011 7.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2011 6.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5554 7.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2186 10.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1687 9.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5730 8.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1687 11.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5122 12.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1687 12.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8406 12.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6632 11.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2186 11.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2186 12.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1578 10.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 7.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 6.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 6.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5916 7.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 8.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 8.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 5.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 7.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 5.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 4.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 4.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 5.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 6.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 6.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 4.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 4.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 5.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 5.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 12 1 0 0 0 25 1 1 0 0 0 1 2 1 0 0 0 2 14 1 0 0 0 10 25 1 0 0 0 25 12 1 0 0 0 3 12 1 0 0 0 3 4 1 0 0 0 4 27 1 0 0 0 27 10 1 0 0 0 14 16 1 0 0 0 5 14 1 0 0 0 7 5 1 0 0 0 6 7 1 0 0 0 6 23 1 0 0 0 21 23 1 0 0 0 23 16 1 0 0 0 16 31 1 0 0 0 21 8 1 0 0 0 31 8 1 0 0 0 10 9 1 0 0 0 10 11 1 0 0 0 12 13 1 1 0 0 5 13 1 1 0 0 14 15 1 1 0 0 16 17 1 6 0 0 21 19 1 0 0 0 19 18 1 6 0 0 19 20 1 0 0 0 20 37 1 0 0 0 21 22 1 6 0 0 23 24 1 1 0 0 25 26 1 6 0 0 27 28 1 1 0 0 37 29 1 0 0 0 8 29 1 0 0 0 37 32 1 0 0 0 32 30 1 0 0 0 8 30 1 6 0 0 32 35 1 1 0 0 35 33 1 0 0 0 35 34 1 0 0 0 35 36 1 0 0 0 37 38 1 1 0 0 7 39 1 1 0 0 40 28 1 1 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 40 1 0 0 0 41 46 1 6 0 0 43 47 1 6 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 48 1 0 0 0 50 54 1 1 0 0 49 55 1 6 0 0 51 56 1 6 0 0 48 57 1 1 0 0 42 57 1 1 0 0 M END > LMST01100023 > Cimimanol D > 3beta,11beta-,25-trihydroxy-16beta,23R:16alpha,24S-diepoxy-9beta,19-cyclolanostan-3betayl-(beta-d-xylopyranosyl-(1-3)-beta-d-xylopyranoside > C40H64O13 > 752.43 > Sterol Lipids [ST] > Sterols [ST01] > Cycloartanols and derivatives [ST0110] > - > > YJHCWVSFXNOWOT-SLMLVCSASA-N > InChI=1S/C40H64O13/c1-18-12-21-31(35(4,5)47)53-40(52-21)16-37(7)23-9-8-22-34(2,3)25(10-11-38(22)17-39(23,38)24(43)13-36(37,6)30(18)40)50-33-28(46)29(20(42)15-49-33)51-32-27(45)26(44)19(41)14-48-32/h18-33,41-47H,8-17H2,1-7H3/t18-,19-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29+,30-,31+,32+,33+,36-,37+,38-,39+,40-/m1/s1 > C1C[C@]2([H])[C@@]3(C[C@]43CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]3O)C(C)(C)[C@]14[H])[C@@H](O)C[C@@]1(C)[C@@]2(C)C[C@]23O[C@H](C(C)(C)O)[C@]([H])(O2)C[C@@H](C)[C@]13[H] > - > - > - > - > - > - > 171119602 > - > - > - > - > - > 64032 > 32464254 $$$$