deacetoxycephalosporin C
Chemical Formula:
C14H18N3O6S
Molecular Weight:
356.373 Daltons
Monoisotopic Mass:
358.1072810802 Daltons
SMILES:
CC1(CS[CH]2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=1)2))
InChI:
1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/p-1/t7-,9-,12-/m1/s1
InChIKey:
Databases
MetaCyc:
DEACETOXYCEPHALOSPORIN-C
ChEBI:
58415
PubChem (CID):
25244072
KEGG:
C06565
Seed:
cpd03973
MetaNetX:
MNXM2012