Mrv1572001271616182D 67 71 0 0 1 0 999 V2000 8.2820 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0945 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 5.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9195 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 5.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 4.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8695 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 6.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0445 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 5.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 5.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0945 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8570 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3320 3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5695 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8608 5.1103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0445 4.6993 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 6.6320 3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2055 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5554 4.5291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1570 3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9195 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6820 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6320 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 3.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5253 5.8639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4445 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7930 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0305 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0445 6.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 6.6869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3759 4.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8070 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 3.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 4.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 5.7777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2195 3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 1.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 3.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3945 4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 1.8414 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 6 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 6 0 0 0 37 24 1 0 0 0 0 37 30 1 1 0 0 0 29 38 1 1 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 1 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 54 1 1 0 0 0 24 55 1 6 0 0 0 25 56 1 6 0 0 0 26 57 1 6 0 0 0 27 58 1 6 0 0 0 28 59 1 6 0 0 0 29 60 1 1 0 0 0 30 61 1 6 0 0 0 31 62 1 6 0 0 0 32 63 1 6 0 0 0 33 64 1 1 0 0 0 34 65 1 6 0 0 0 36 66 1 1 0 0 0 37 67 1 1 0 0 0 M END > DB11544 > drugbank > [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/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)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1 > KQXDHUJYNAXLNZ-XQSDOZFQSA-N > C42H70O11 > 751.011 > 750.491813074 > 11 > 123 > 81.81539284165163 > 0 > 4 > 0 > 0 > (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]butanoic acid > 4.48 > 7.511846746999999 > -5.40 > 1 > 5 > -1 > 12.791985322326738 > 4.452481210241194 > -3.0374298052209197 > 161.20999999999998 > 200.06630000000004 > 12 > 0 > 2.97e-03 g/l > salinomycin > 0 > DB11544 > vet_approved > Salinomycin > Procoxacin; Salinomycin > Salinomycin sodium $$$$