CDK 2/12/10,15:26 30 31 0 0 0 0 0 0 0 0999 V2000 12.9251 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2913 -8.1204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2024 -8.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9251 -9.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0072 -7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5693 -7.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4830 -9.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2024 -10.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0072 -6.8584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7264 -8.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5693 -6.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4830 -9.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7715 -8.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2879 -6.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7750 -7.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0557 -9.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2913 -5.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7699 -10.4097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9494 -10.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5554 -9.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 -9.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 -8.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5289 -8.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1306 -8.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 -8.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9224 -7.4668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 -11.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3163 -10.3506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8919 -8.8826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5555 -7.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 8 12 1 0 0 0 0 11 14 1 0 0 0 0 12 18 1 6 0 0 0 1 2 1 1 0 0 0 18 19 1 0 0 0 0 1 3 1 0 0 0 0 19 20 1 0 0 0 0 1 4 1 0 0 0 0 20 21 1 0 0 0 0 2 5 1 0 0 0 0 21 22 1 0 0 0 0 2 6 1 0 0 0 0 22 23 1 0 0 0 0 3 7 1 0 0 0 0 23 24 1 0 0 0 0 4 8 2 0 0 0 0 24 25 1 0 0 0 0 5 9 1 0 0 0 0 25 26 1 0 0 0 0 5 10 2 0 0 0 0 19 27 2 0 0 0 0 6 11 2 0 0 0 0 21 28 1 0 0 0 0 7 12 1 0 0 0 0 25 29 2 0 0 0 0 7 13 1 1 0 0 0 24 30 1 0 0 0 0 M CHG 1 15 -1 M CHG 1 28 1 M CHG 1 29 1 M END > CHEBI:57697 > deaminohydroxyblasticidin S(1+) > Conjugate acid of deaminohydroxyblasticidin S having an anionic carboxy group and protonated primary amino and guanidino groups; major species at pH 7.3. > 3 > deaminohydroxyblasticidin S cation; deaminohydroxyblasticidin S > C17H26N7O6 > 424.43160 > 424.19391 > 1 > CN(CCC([NH3+])CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C([O-])=O)n1ccc(=O)[nH]c1=O)C(N)=[NH2+] > InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/p+1/t9?,10-,13+,14-/m0/s1 > REIIQZAQCCFGIJ-LBLJTAPMSA-O $$$$