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CHEBI:199378 - Neothramycin A

ChEBI IDCHEBI:199378
ChEBI NameNeothramycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O4
Net Charge0
Average Mass262.265
Monoisotopic Mass262.09536
SMILESCOc1cc2c(cc1O)N=C[C@@H]1CC[C@H](O)N1C2=O
InChIInChI=1S/C13H14N2O4/c1-19-11-4-8-9(5-10(11)16)14-6-7-2-3-12(17)15(7)13(8)18/h4-7,12,16-17H,2-3H2,1H3/t7-,12-/m0/s1
InChIKeyFXMOIYLVKOALHC-MADCSZMMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (931797)
ChEBI Ontology
Outgoing Relation(s)
Neothramycin A (CHEBI:199378) is a pyrrolobenzodiazepine (CHEBI:131437)
IUPAC Name 
(6aS,9S)-3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Manual XrefsDatabases
133588ChemSpider