Mrv1652306242117483D 29 31 0 0 0 0 999 V2000 -3.4110 1.6106 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 1.6160 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 0.6341 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 0.5339 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0006 1.3537 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.7921 1.3936 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0537 -0.0662 2.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8555 -0.0386 0.2359 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8215 -0.8999 -0.2667 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 -1.8267 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -2.3999 -1.9104 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4006 -2.0382 -1.6703 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 -1.5858 -0.6116 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4439 -0.5696 -1.0198 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7294 -1.0482 -0.8977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 -0.9185 0.3477 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7817 2.6565 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 1.2353 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 0.9903 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7594 2.4269 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7371 2.4034 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 1.5556 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -0.8793 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1821 0.7238 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7376 -0.6201 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8959 -2.4576 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -0.2928 -2.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 -1.5105 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -1.3806 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 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 13 16 1 0 0 0 0 14 3 1 0 0 0 0 16 4 1 0 0 0 0 16 9 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 1 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 13 26 1 1 0 0 0 14 27 1 6 0 0 0 15 28 1 0 0 0 0 16 29 1 1 0 0 0 M END > NP0003595 > NP-MRD > [H]O[C@@]1([H])\C(=C(\[H])C([H])([H])[H])C2=C([H])[C@@]([H])(O[H])C([H])([H])N3C(=O)O[C@@]1([H])[C@]23[H] > InChI=1S/C11H13NO4/c1-2-6-7-3-5(13)4-12-8(7)10(9(6)14)16-11(12)15/h2-3,5,8-10,13-14H,4H2,1H3/b6-2-/t5-,8+,9+,10+/m1/s1 > VVZZZOPRFXGZHF-RMFQZOGDSA-N > C11H13NO4 > 223.228 > 223.084457903 > 3 > 29 > 21.97065227229064 > 1 > 2 > 0 > 0 > (4S,5S,6Z,9R,11S)-6-ethylidene-5,9-dihydroxy-3-oxa-1-azatricyclo[5.3.1.0^{4,11}]undec-7-en-2-one > -0.31 > -0.6688708893333336 > -0.53 > 0 > 3 > 0 > 14.506313421236662 > 13.42320219257255 > -3.0342607605967054 > 70.0 > 55.9249 > 0 > 1 > 6.53e+01 g/l > (4S,5S,6Z,9R,11S)-6-ethylidene-5,9-dihydroxy-3-oxa-1-azatricyclo[5.3.1.0^{4,11}]undec-7-en-2-one > 0 > NP0003595 > 9-hydroxystreptazolin $$$$