ChEBI Marvin 01041116492D 26 27 0 0 1 0 999 V2000 15.3136 -10.1398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3136 -9.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0261 -10.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4874 -10.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4874 -9.3134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0261 -8.9004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -10.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0186 -11.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9037 -10.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7729 -8.9009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -9.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4626 -10.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3023 -11.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7311 -11.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0595 -9.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3479 -8.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0575 -10.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6306 -9.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 -8.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 -9.3019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4902 -8.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2035 -10.1281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7766 -9.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4958 -8.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3136 -8.4910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1771 -10.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 4 5 1 0 0 0 0 7 11 1 0 0 0 0 2 25 1 6 0 0 0 12 26 1 0 0 0 0 5 10 1 1 0 0 0 M END > CHEBI:18065 > deacetylcephalosporin C > A 3-hydroxymethylcephalosporin having a (5-amino-5-carboxypentanoyl)amino group at the 7-position. > 3 > CHEBI:4336; CHEBI:14100; CHEBI:23564 > Deacetylcephalosporin C > (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > C14H19N3O7S > 373.38200 > 373.09437 > 0 > [H][C@]12SCC(CO)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O > InChI=1S/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)/t7-,9-,12-/m1/s1 > XWCFYHBHOFBVIV-JWKOBGCHSA-N > 1476-46-6 > C03112 $$$$