CDK 1029232200 48 51 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 2.0235 1.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 -0.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 -0.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 -1.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3652 -1.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0936 -0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -2.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7933 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8509 0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5217 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7644 -2.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2007 0.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2213 -1.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 2.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 3.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 2.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 3.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9696 3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 3.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 4.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 4.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9828 4.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3776 4.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7262 4.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 5.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6024 5.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 6.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0024 6.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 6.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 6.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4273 5.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 6.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9774 7.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2521 5.5616 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 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 41 45 1 0 0 0 0 41 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 16 19 1 0 0 0 0 22 23 1 0 0 0 0 28 29 1 0 0 0 0 35 36 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 1 1 M CHG 1 4 -1 M END > CHEBI:201815 > Monensin sodium salt > 2 > sodium;(2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoate > C36H61O11.Na > 692.863 > 692.41116 > 0 > [Na+].O=C([O-])C(C(OC)C(C1OC2(OC(C3OC(C4OC(C5OC(O)(C(C)CC5C)CO)CC4C)(CC)CC3)(C)CC2)CC(C1C)O)C)C > InChI=1S/C36H62O11.Na/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);/q;+1/p-1 > XOIQMTLWECTKJL-UHFFFAOYSA-M $$$$