LMPK09000042 LIPID_MAPS_STRUCTURE_DATABASE 52 56 0 0 0 0 0 0 0 0999 V2000 11.8954 -6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8952 -6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5863 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3953 -7.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2711 -6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2708 -6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9621 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 -7.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5797 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5197 -6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5194 -6.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2108 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0195 -7.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8284 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8281 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6940 -7.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5598 -7.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5598 -6.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6940 -5.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8281 -6.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7033 -6.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7376 -5.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0307 -6.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2894 -7.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2551 -7.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0795 -6.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0865 -7.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7039 -6.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7109 -7.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0198 -5.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3283 -6.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3283 -7.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3283 -5.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8186 -5.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8186 -8.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5255 -7.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2324 -8.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2377 -4.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 -6.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4237 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -7.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -7.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 -7.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -7.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4237 -8.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -6.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -5.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 -8.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 -6.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5481 -8.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2039 -5.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 7 1 0 0 0 0 10 3 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 15 16 1 0 0 0 0 5 13 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 16 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 8 1 0 0 0 0 10 27 1 6 0 0 0 3 28 1 6 0 0 0 5 29 1 6 0 0 0 13 30 1 6 0 0 0 11 31 1 1 0 0 0 15 32 1 1 0 0 0 16 33 1 1 0 0 0 21 34 1 1 0 0 0 19 35 1 1 0 0 0 18 36 1 1 0 0 0 18 37 1 6 0 0 0 37 38 1 0 0 0 0 23 39 1 1 0 0 0 24 40 1 6 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 41 46 1 1 0 0 0 42 47 1 6 0 0 0 47 48 1 0 0 0 0 43 49 1 6 0 0 0 44 50 2 0 0 0 0 25 51 1 1 0 0 0 29 52 1 0 0 0 M END > LMPK09000042 > Monensin A > > C36H62O11 > 670.43 > Polyketides [PK] > Polyether antibiotics [PK09] > > - > > GAOZTHIDHYLHMS-KEOBGNEYSA-N > InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1 > C1[C@]([H])([C@]2(C)CC[C@@]3(O[C@]([H])([C@@H](C)[C@@H](OC)[C@H](C)C(=O)O)[C@H](C)[C@@H](O)C3)O2)O[C@](CC)([C@]2([H])O[C@@]([H])([C@]3([H])[C@@H](C)C[C@@H](C)[C@@](CO)(O)O3)C[C@@H]2C)C1 > C06693 > - > 27617 > - > - > - > 441145 > - > - > - > - > - > 1961 > 5453344 $$$$