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CHEBI:206385 - Spathullin A

ChEBI IDCHEBI:206385
ChEBI NameSpathullin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H11NO4
Net Charge0
Average Mass245.234
Monoisotopic Mass245.06881
SMILESO=C(O)c1ccc2n1Cc1c(ccc(O)c1O)C2
InChIInChI=1S/C13H11NO4/c15-11-4-1-7-5-8-2-3-10(13(17)18)14(8)6-9(7)12(11)16/h1-4,15-16H,5-6H2,(H,17,18)
InChIKeyMOFOFKUUAFKEGG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31861067)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spathullin A (CHEBI:206385) is a carboxylic acid (CHEBI:33575)
Spathullin A (CHEBI:206385) is a pyrroles (CHEBI:26455)
IUPAC Name 
6,7-dihydroxy-5,10-dihydropyrrolo[1,2-b]isoquinoline-3-carboxylic acid