Mrv1572004221605012D 68 71 0 0 1 0 999 V2000 2.0945 5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 9.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 7.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 5.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 6.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1441 7.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 5.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 4.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6669 4.5079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3801 2.0329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0489 2.0329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5235 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9524 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2770 7.3414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5235 5.7454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0945 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2380 5.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4778 3.6829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4371 6.1854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2380 2.8579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8090 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 4.0954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3801 2.8579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5235 6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 5.3649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6095 7.8264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0489 2.8579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7633 4.0954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1923 4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 6.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 6.9829 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1482 8.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 6.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 4.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 4.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0489 3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 7.3954 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.6669 3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0489 1.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3632 8.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 4.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.6829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 6.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1045 5.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 4.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6656 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 15 14 1 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 21 20 1 0 0 0 0 23 4 1 6 0 0 0 23 14 1 0 0 0 0 24 5 1 1 0 0 0 24 22 1 0 0 0 0 25 6 1 1 0 0 0 25 22 1 0 0 0 0 26 7 1 1 0 0 0 27 8 1 1 0 0 0 28 9 1 1 0 0 0 29 11 1 0 0 0 0 30 12 1 0 0 0 0 31 15 1 0 0 0 0 31 29 1 1 0 0 0 32 16 1 0 0 0 0 33 17 1 0 0 0 0 34 26 1 0 0 0 0 34 27 1 0 0 0 0 35 26 1 0 0 0 0 30 35 1 1 0 0 0 36 23 1 0 0 0 0 36 27 1 1 0 0 0 37 24 1 0 0 0 0 37 30 1 1 0 0 0 29 38 1 6 0 0 0 39 10 1 6 0 0 0 39 20 1 0 0 0 0 33 39 1 6 0 0 0 40 13 1 1 0 0 0 40 18 1 0 0 0 0 40 28 1 0 0 0 0 41 19 1 0 0 0 0 41 25 1 0 0 0 0 42 21 1 0 0 0 0 42 32 1 0 0 0 0 32 43 1 6 0 0 0 34 44 1 6 0 0 0 45 35 2 0 0 0 0 46 38 2 0 0 0 0 47 38 1 0 0 0 0 40 48 1 6 0 0 0 49 28 1 0 0 0 0 49 33 1 0 0 0 0 50 31 1 0 0 0 0 50 36 1 0 0 0 0 51 37 1 0 0 0 0 41 51 1 1 0 0 0 52 39 1 0 0 0 0 42 52 1 1 0 0 0 53 41 1 0 0 0 0 53 42 1 0 0 0 0 23 55 1 1 0 0 0 24 56 1 6 0 0 0 25 57 1 6 0 0 0 26 58 1 6 0 0 0 27 59 1 6 0 0 0 28 60 1 6 0 0 0 29 61 1 6 0 0 0 30 62 1 6 0 0 0 31 63 1 6 0 0 0 32 64 1 6 0 0 0 33 65 1 1 0 0 0 34 66 1 1 0 0 0 36 67 1 1 0 0 0 37 68 1 1 0 0 0 M CHG 2 47 -1 54 1 M END > DBSALT001701 > drugbank > [Na+].[H][C@@](C)(C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@@]3([H])CC[C@](O)(CC)[C@]([H])(C)O3)[C@]([H])(O)C=C2)[C@]([H])(C)C[C@]1([H])C)[C@@]([H])(O)[C@]([H])(C)[C@]1([H])O[C@]([H])(CC[C@]1([H])C)[C@@]([H])(CC)C([O-])=O > InChI=1S/C42H70O11.Na/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33;/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47);/q;+1/p-1/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-;/m0./s1 > YPZYGIQXBGHDBH-UZHRAPRISA-M > C42H69NaO11 > 772.993 > 772.47375732 > 11 > 123 > 81.59528321605478 > 0 > 3 > 0 > 0 > sodium (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate > 4.98 > 7.511846746999999 > -5.50 > 1 > 5 > -1 > 12.791985322326738 > 4.452481210241194 > -3.0374298052209197 > 164.03999999999996 > 210.90340000000003 > 12 > 0 > 2.45e-03 g/l > sodium (2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate > 0 > DBSALT001701 > Salinomycin sodium > DB11544 > Salinomycin > 55721-31-8 > 92UOD3BMEK $$$$