Mrv0541 04191212122D 58 65 0 0 1 0 999 V2000 13.3011 -7.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0047 -7.2489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7192 -7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4336 -7.2489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4336 -6.4239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7192 -6.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0047 -6.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1481 -7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8626 -7.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8626 -6.4239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1481 -6.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5770 -6.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5770 -5.1864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8626 -4.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1481 -5.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3616 -6.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8466 -5.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3616 -4.9315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6204 -4.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4518 -4.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7255 -3.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0655 -2.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3839 -3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5063 -3.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5770 -4.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5770 -6.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8626 -5.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4336 -5.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4336 -8.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1481 -6.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 -7.3271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5632 -6.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 -6.0896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1342 -6.5021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1342 -7.3271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8487 -7.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -6.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 -6.5021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7053 -7.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -7.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9908 -6.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -6.5021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2764 -7.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9908 -7.7396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5618 -6.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -6.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -7.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5618 -7.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 -6.0896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4185 -6.5021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4185 -7.3271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1330 -7.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -6.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -7.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8485 -5.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9906 -8.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 -5.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8626 -3.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 13 25 1 1 0 0 0 12 26 1 1 0 0 0 10 27 1 1 0 0 0 5 28 1 1 0 0 0 4 29 1 1 0 0 0 11 30 1 6 0 0 0 31 1 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 31 36 1 0 0 0 0 34 37 1 6 0 0 0 38 37 1 6 0 0 0 38 39 1 0 0 0 0 35 40 1 6 0 0 0 38 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 39 44 1 0 0 0 0 42 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 43 48 1 1 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 47 52 1 0 0 0 0 50 53 1 6 0 0 0 51 54 1 6 0 0 0 33 55 1 1 0 0 0 44 56 1 6 0 0 0 49 57 1 1 0 0 0 14 58 1 1 0 0 0 M END > T3D2670 > t3db > [H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 > InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 > LTMHDMANZUZIPE-PUGKRICDSA-N > C41H64O14 > 780.9385 > 780.429606756 > 13 > 84.80330180640148 > 0 > 6 > 0 > 0 > 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2,5-dihydrofuran-2-one > 1.04 > 2.366680672000001 > -3.79 > 1 > 8 > 0 > 12.98355438761116 > 7.151115824532209 > -2.976075008150179 > 203.05999999999997 > 193.2328 > 7 > 0 > 1.27e-01 g/l > digoxin > 0 > T3D2670 > Digoxin > 20830-75-5 > 12beta-Hydroxydigitoxin; 12β-hydroxydigitoxin; Agoxin; Cardiacin; Cardiogoxin; Cardioxin; Cardoxin; Celoxin; Centoxin; Cogoxin; Davoxin; Digacin; Digazolan; Digitalis glycoside; Digitek; Digocard-G; Digossina; DIGOX; Digoxin Pediatric; Digoxina; Digoxine; Digoxinum; Dilanacin; Dynamos; Eudigox; Homolle'S digitalin; Lanacordin; Lanacrist; Lanadicor; Lanicor; Lanoxicaps; Lanoxin; Lenoxin; Neo-Lanicor; Rougoxin; SK-Digoxin; Vanoxin > Organic Compound; Ester; Drug; Food Toxin; Plant Toxin; Enzyme Inhibitor; Anti-Arrhythmia Agent; Cardiotonic Agent; Metabolite; Natural Compound $$$$