Mrv1652306242117483D 29 31 0 0 0 0 999 V2000 -3.3477 -2.0261 1.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 -1.5595 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0204 -2.0687 1.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3982 -1.7210 -0.2206 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0409 -1.3527 -0.0784 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7457 -1.7765 -1.2252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1092 0.1301 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.8353 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 0.1655 0.1152 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3191 0.5663 -0.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 0.6615 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 1.8255 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 2.0482 -0.0694 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0756 0.8460 0.2151 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2831 -0.3594 0.2978 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.4462 -0.5751 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6017 -2.5020 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5337 -1.8228 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.2274 -1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.9204 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 0.4749 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 -0.9167 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 0.1016 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1765 2.6536 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 2.8959 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3977 2.3244 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8225 0.6626 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 1.0148 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3637 -0.3477 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 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 15 16 1 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 16 11 1 0 0 0 0 4 17 1 6 0 0 0 5 18 1 1 0 0 0 6 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 16 29 1 6 0 0 0 M END > NP0003593 > NP-MRD > [H]OC([H])([H])C(\[H])=C1\C2=C([H])C([H])([H])C([H])([H])N3C(=O)O[C@]([H])([C@@]1([H])O[H])[C@]23[H] > InChI=1S/C11H13NO4/c13-5-3-7-6-2-1-4-12-8(6)10(9(7)14)16-11(12)15/h2-3,8-10,13-14H,1,4-5H2/b7-3-/t8-,9-,10-/m0/s1 > XGUFQWYNNZVQCB-ABBOFZCMSA-N > C11H13NO4 > 223.228 > 223.084457903 > 3 > 29 > 22.061575006464572 > 1 > 2 > 0 > 0 > (4S,5S,6Z,11S)-5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.0^{4,11}]undec-7-en-2-one > -0.25 > -1.0306458990000005 > -0.68 > 0 > 3 > 0 > 15.616059074642362 > 13.452628112530295 > -2.5369349339496674 > 70.0 > 56.4921 > 1 > 1 > 4.68e+01 g/l > (4S,5S,6Z,11S)-5-hydroxy-6-(2-hydroxyethylidene)-3-oxa-1-azatricyclo[5.3.1.0^{4,11}]undec-7-en-2-one > 0 > NP0003593 > 13-hydroxystreptazolin $$$$