Mrv1652306242119513D 53 57 0 0 0 0 999 V2000 -1.9101 1.5455 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 0.8742 -0.1016 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1145 1.6662 -1.2494 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5964 1.6691 -1.2713 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2850 0.4330 -0.8607 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4325 0.8135 -0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 -0.6058 -0.1537 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0001 -0.6323 1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8696 -1.9641 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 -2.8856 0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6516 -2.2537 -2.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.5120 -0.2532 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3649 -1.5091 0.6530 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1827 -2.1434 -0.0558 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9434 -1.1857 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1496 -1.8469 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -1.1793 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6382 -1.5698 0.6016 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -0.4904 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7962 -0.3265 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3959 0.9155 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5928 2.0301 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 1.8533 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 0.6196 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3191 0.1956 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.8977 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9607 0.1776 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 0.9862 -0.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 0.8625 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 2.3107 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 2.1252 1.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 2.6985 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6674 1.2549 -2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 2.5543 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8912 1.9889 -2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -0.0246 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2692 1.6858 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 -1.1196 1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 0.3755 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9415 -1.2590 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6166 -1.4749 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 -0.8281 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.3435 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -1.0185 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -3.1364 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4447 -2.2257 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -2.9258 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9689 -2.5582 0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 -1.2091 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 0.9716 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 3.0044 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5972 2.7275 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 1.9909 0.0303 H 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 7 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 12 2 1 0 0 0 0 27 15 1 0 0 0 0 28 2 1 0 0 0 0 25 17 2 0 0 0 0 24 19 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 6 0 0 0 6 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 6 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 16 47 1 0 0 0 0 18 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 26 53 1 0 0 0 0 M END > NP0014000 > NP-MRD > [H]OC(=O)[C@]1(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2(OC3=C([H])C4=C(N([H])C5=C([H])C([H])=C([H])C([H])=C45)C([H])=C3C([H])([H])C([H])([H])[C@@]12[H])C([H])([H])[H] > InChI=1S/C23H25NO4/c1-22-10-9-20(25)23(2,21(26)27)19(22)8-7-13-11-17-15(12-18(13)28-22)14-5-3-4-6-16(14)24-17/h3-6,11-12,19-20,24-25H,7-10H2,1-2H3,(H,26,27)/t19-,20+,22+,23+/m1/s1 > WFJWYMIUZRCIHV-VAPSRWTKSA-N > C23H25NO4 > 379.456 > 379.178358289 > 4 > 53 > 42.027152154942044 > 1 > 3 > 0 > 1 > (16S,17S,18S,21S)-18-hydroxy-17,21-dimethyl-22-oxa-10-azapentacyclo[11.9.0.0^{3,11}.0^{4,9}.0^{16,21}]docosa-1,3(11),4,6,8,12-hexaene-17-carboxylic acid > 3.80 > 3.9756776849999995 > -5.20 > 0 > 5 > -1 > 14.614950684136634 > 4.3522469939567445 > -3.041169921088504 > 82.55 > 105.5548 > 1 > 1 > 2.42e-03 g/l > (16S,17S,18S,21S)-18-hydroxy-17,21-dimethyl-22-oxa-10-azapentacyclo[11.9.0.0^{3,11}.0^{4,9}.0^{16,21}]docosa-1,3(11),4,6,8,12-hexaene-17-carboxylic acid > 0 > NP0014000 > Oxiamycin $$$$