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CHEBI:210799 - Cladosin E

ChEBI IDCHEBI:210799
ChEBI NameCladosin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO4
Net Charge0
Average Mass251.282
Monoisotopic Mass251.11576
SMILESCc1cccc(O)c1C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C13H17NO4/c1-7(2)11(13(17)18)14-12(16)10-8(3)5-4-6-9(10)15/h4-7,11,15H,1-3H3,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyIJYABWXHQIIBHZ-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (24499327)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cladosin E (CHEBI:210799) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-2-[(2-hydroxy-6-methylbenzoyl)amino]-3-methylbutanoic acid
Manual XrefsDatabases
32674710ChemSpider