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CHEBI:199557 - (2S)-2-amino-4-(3,4-dihydroxy-5-methoxybenzoyl)oxybutanoic acid

ChEBI IDCHEBI:199557
ChEBI Name(2S)-2-amino-4-(3,4-dihydroxy-5-methoxybenzoyl)oxybutanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO7
Net Charge0
Average Mass285.252
Monoisotopic Mass285.08485
SMILESCOc1cc(C(=O)OCC[C@H](N)C(=O)O)cc(O)c1O
InChIInChI=1S/C12H15NO7/c1-19-9-5-6(4-8(14)10(9)15)12(18)20-3-2-7(13)11(16)17/h4-5,7,14-15H,2-3,13H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeyDOGIWBIDAAYBPO-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Aleurodiscus amorphus (ncbitaxon:166462) - PubMed (17886311)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-amino-4-(3,4-dihydroxy-5-methoxybenzoyl)oxybutanoic acid (CHEBI:199557) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Name 
(2S)-2-amino-4-(3,4-dihydroxy-5-methoxybenzoyl)oxybutanoic acid
Manual XrefsDatabases
78436512ChemSpider