CDK 1029232200 52 56 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6665 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 0.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6264 2.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 1.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1820 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6703 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 -0.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 -0.2672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3215 -1.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0752 -1.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5247 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3964 -2.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7021 -2.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 -3.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2896 -3.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5225 -2.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -3.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0849 -3.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0410 -4.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -4.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 -5.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 -5.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 -3.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6433 -5.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -3.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0302 -5.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 -3.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 11 13 1 0 0 0 0 19 21 1 0 0 0 0 24 26 1 0 0 0 0 33 34 1 0 0 0 0 39 40 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 1 1 M CHG 1 4 -1 M END > CHEBI:201444 > Nigericin sodium > 2 > sodium;(2R)-2-[(2R,3S,6R)-6-[[(2S,4R,5R,6R,7R,9R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoate > C40H67O11.Na > 746.955 > 746.45811 > 0 > [Na+].O=C([O-])C(C1OC(CCC1C)CC2OC3(OC(C4OC(C5OC(C6OC(O)(C(C)CC6C)CO)CC5C)(C)CC4)(C)CC3C)C(C)C(C2)OC)C > InChI=1S/C40H68O11.Na/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34;/h21-35,41,44H,11-20H2,1-10H3,(H,42,43);/q;+1/p-1 > MOYOTUKECQMGHE-UHFFFAOYSA-M $$$$