deacetylcephalosporin C
Chemical Formula:
C14H18N3O7S
Molecular Weight:
372.372 Daltons
Monoisotopic Mass:
374.1021957023 Daltons
SMILES:
C(O)C1(CS[CH]2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=1)2))
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)/p-1/t7-,9-,12-/m1/s1
InChIKey:
Databases
MetaCyc:
DEACETYLCEPHALOSPORIN-C
ChEBI:
58366
PubChem (CID):
25246073
KEGG:
C03112
CAS:
1476-46-6
Seed:
cpd01995
MetaNetX:
MNXM1081