Marvin 03141313462D 33 35 0 0 1 0 999 V2000 15.8205 -7.4300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1060 -6.1926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1060 -7.8425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3915 -7.4300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3915 -6.6050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3916 -9.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3916 -9.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6771 -10.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9626 -9.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9626 -9.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6771 -8.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2483 -10.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2483 -8.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 -11.1424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5337 -9.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1061 -5.3676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5349 -7.8425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 -7.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1061 -8.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 -6.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 -5.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3916 -4.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3916 -4.1301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6771 -3.7176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9626 -4.1301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9626 -4.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1061 -3.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2483 -3.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 -2.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8205 -6.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1061 -10.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2481 -5.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8205 -4.1301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30 1 1 0 0 0 0 1 17 1 1 0 0 0 2 30 1 0 0 0 0 2 16 1 1 0 0 0 1 3 1 0 0 0 0 3 19 1 6 0 0 0 3 4 1 0 0 0 0 4 18 1 1 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 5 20 1 6 0 0 0 6 19 1 6 0 0 0 6 7 1 0 0 0 0 11 6 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 6 0 0 0 8 9 1 0 0 0 0 8 14 1 1 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 1 0 0 0 13 15 1 0 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 26 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 1 0 0 0 24 25 1 0 0 0 0 24 29 1 6 0 0 0 25 26 1 0 0 0 0 25 28 1 1 0 0 0 26 32 2 0 0 0 0 27 33 1 0 0 0 0 M END > CHEBI:72769 > 2'-oxokanamycin > A kanamycin obtained by dehydrogenation at position 2' of kanamycin A. > 3 > 2'-ketokanamycin; 2'-dehydrokanamycin A > (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-arabino-hexopyranosyl-2-ulose)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside > C18H34N4O11 > 482.48280 > 482.22241 > 0 > NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)C(=O)[C@@H](O)[C@@H]1O > InChI=1S/C18H34N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-12,14-18,23-27,29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1 > FQALWUBUOWECTR-WSWRBCCJSA-N > 22604553 > 22374809 $$$$