472335 -OEChem-12151818333D 44 48 0 1 0 0 0 0 0999 V2000 -5.4535 -0.9942 0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8152 2.1140 0.8652 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 -3.3983 -0.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1763 0.9842 1.1855 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1209 -0.7016 -0.0179 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3459 -1.9919 -0.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -1.5473 -0.0637 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 1.3463 0.0615 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.8604 -0.0267 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0673 0.9964 0.0102 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8748 0.0799 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4841 -0.1720 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 -1.2517 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6735 -2.2269 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5363 0.6497 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6256 -1.0777 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.1280 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 -2.1811 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 1.5091 -1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4169 -1.8470 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3095 0.3380 0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0509 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 0.1985 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5702 2.4569 -1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 1.3790 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 0.2916 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5008 2.6044 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 1.5345 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8952 2.6902 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7534 -2.8048 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 -2.8803 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 1.7261 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 2.0560 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 0.6803 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 -2.7661 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 -2.1015 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4029 -2.0453 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6852 2.9110 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4428 3.2751 -0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 1.9417 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 1.7773 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 3.5262 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 1.6505 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 3.6632 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 41 1 0 0 0 0 3 18 2 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 17 2 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 19 24 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M CHG 2 5 -1 9 1 M END > DB06159 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VHXNKPBCCMUMSW-FQEVSTJZSA-N/SDF?record_type=3d > CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O > InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1 > VHXNKPBCCMUMSW-FQEVSTJZSA-N > C20H15N3O6 > 393.355 > 393.096085215 > 6 > 44 > 38.86930224577854 > 1 > 1 > 0 > 1 > (19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione > 1.88 > 1.160227427333334 > -3.22 > 0 > 5 > 0 > 11.710526129755303 > 0.28653084374082305 > 122.86999999999999 > 100.81299999999999 > 2 > 1 > 2.39e-01 g/l > (19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione > 0 $$$$