11949646 -OEChem-01292011093D 58 61 0 1 0 0 0 0 0999 V2000 -0.7423 4.3515 0.8154 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 0.1767 -0.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2059 -3.7588 0.3049 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 -1.6573 1.9892 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9106 -3.0912 -0.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 0.9816 -1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0788 -2.7764 0.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 -0.7353 -0.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.5168 0.6371 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7579 -1.4326 0.7820 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8203 -2.1743 -0.4750 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3944 -0.0357 0.8445 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3523 -0.7497 -0.3083 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3507 1.0641 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 -0.3457 -1.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4646 1.1671 -0.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 1.9703 1.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 2.1790 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6491 -0.8929 0.5717 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4273 2.2572 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3193 2.9821 1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4319 3.0865 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0794 -0.4197 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7795 -2.3707 0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8404 -1.6036 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6985 1.4541 -1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0206 -0.0141 -0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 2.0581 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 0.1344 -1.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9737 1.3178 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 -0.6057 -1.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -2.6793 1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -1.5277 -0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -2.2922 -1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9861 0.0592 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 -0.6499 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 -0.3674 -2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 -0.9944 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 -3.9539 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -1.5922 2.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 0.4696 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -2.9869 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 1.9017 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9986 -0.4008 1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 3.2956 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 1.9031 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2756 3.6814 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2860 0.4987 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3595 -0.2701 1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9147 1.5479 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0212 -2.9867 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7510 -2.5567 1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8467 -1.6927 0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9215 -1.5426 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8107 3.1011 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8569 -0.3360 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8473 1.7966 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9275 -1.6430 -1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 39 1 0 0 0 0 4 10 1 0 0 0 0 4 40 1 0 0 0 0 5 11 1 0 0 0 0 5 42 1 0 0 0 0 6 15 1 0 0 0 0 6 50 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 26 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END > DB09038 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OBWASQILIWPZMG-QZMOQZSNSA-N/SDF?record_type=3d > OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(O[C@H]3CCOC3)C=C2)=C1 > InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1 > OBWASQILIWPZMG-QZMOQZSNSA-N > C23H27ClO7 > 450.91 > 450.1445309 > 7 > 58 > -3.5910466600203e-06 > 46.11710454123466 > 1 > 4 > 0 > 1 > (2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[(3S)-oxolan-3-yloxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol > 1.79 > 1.6553187060000008 > -3.61 > 1 > 0 > 4 > 0 > 13.456757206604877 > 12.567882362588916 > -2.979190369034347 > 108.61000000000001 > 113.79159999999996 > 6 > 1 > 1.11e-01 g/l > fidaxomicin > 0 $$$$