ChEBI Marvin 03130915582D 40 43 0 0 1 0 999 V2000 17.1797 -14.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4652 -15.1695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4652 -15.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1797 -16.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8942 -15.9945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8942 -15.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1797 -13.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6086 -16.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7508 -14.7570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1797 -17.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4652 -17.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6086 -14.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3231 -15.1695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0376 -14.7570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3231 -15.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0376 -16.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7520 -15.9945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7520 -15.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0376 -17.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0376 -13.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4665 -14.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3231 -17.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4665 -16.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 -12.5873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1778 -12.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1778 -13.8249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8923 -14.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6067 -13.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6067 -12.9998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8923 -15.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 -12.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 -14.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 -11.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1778 -11.3498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6067 -11.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6067 -10.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 -10.1123 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.0357 -10.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 -9.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5347 -10.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 1 6 1 0 0 0 0 1 7 1 6 0 0 0 5 8 1 6 0 0 0 2 9 1 1 0 0 0 4 10 1 1 0 0 0 10 11 1 0 0 0 0 6 12 1 1 0 0 0 13 12 1 1 0 0 0 14 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 1 0 0 0 14 20 1 1 0 0 0 18 21 1 1 0 0 0 19 22 1 0 0 0 0 17 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 26 20 1 1 0 0 0 26 21 1 6 0 0 0 27 30 1 1 0 0 0 29 31 1 6 0 0 0 28 32 1 6 0 0 0 24 33 1 6 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 M END > CHEBI:16861 > 7''-O-phosphohygromycin B > 3 > CHEBI:12241; CHEBI:2243; CHEBI:20763 > 7''-O-phosphohygromycin B; 7''-O-Phosphohygromycin > (1S,2S,3R,4S,6R)-6-amino-2-[6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranosyloxy]-3-hydroxy-4-(methylamino)cyclohexyl dihydrogen phosphate > C20H38N3O16P; C20H38N3O16P > 607.50000 > 607.19897 > 0 > CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O[C@H](C(N)COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1O > InChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(25)15(10(7)26)36-19-17-16(11(27)8(3-24)35-19)38-20(39-17)18(30)13(29)12(28)14(37-20)6(22)4-34-40(31,32)33/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 > DDJWTKQJOKVHBW-NZSRVPFOSA-N > C03368 $$$$