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CHEBI:200288 - Penicimarin A

ChEBI IDCHEBI:200288
ChEBI NamePenicimarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESC[C@H](O)[C@H]1COC(=O)c2c(O)cc(O)cc21
InChIInChI=1S/C11H12O5/c1-5(12)8-4-16-11(15)10-7(8)2-6(13)3-9(10)14/h2-3,5,8,12-14H,4H2,1H3/t5-,8+/m0/s1
InChIKeySPXGRHRWLJRRMZ-YLWLKBPMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23477451)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Penicimarin A (CHEBI:200288) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4R)-6,8-dihydroxy-4-[(1S)-1-hydroxyethyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
29355660ChemSpider