CHEBI:211525 - Mycemycin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mycemycin C
ChEBI ID CHEBI:211525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H11Cl2NO4
Net Charge 0
Average Mass 352.170
Monoisotopic Mass 351.00651
InChI InChI=1S/C16H11Cl2NO4/c1-7-11(18)6-10(16(21)22-2)13-14(7)23-12-4-3-8(17)5-9(12)15(20)19-13/h3-6H,1-2H3,(H,19,20)
InChIKey HUIPLTJKSZEWPF-UHFFFAOYSA-N
SMILES ClC1=C(C=2OC3=C(C=C(Cl)C=C3)C(NC2C(=C1)C(=O)OC)=O)C
Metabolite of Species Details
Streptomycesspecies FXJ1.235 (NCBI:txid1454112) See: PubMed
ChEBI Ontology
Outgoing Mycemycin C (CHEBI:211525) is a aromatic ether (CHEBI:35618)
IUPAC Name
methyl 2,8-dichloro-1-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-4-carboxylate
Manual Xref Database
40256669 ChemSpider
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