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CHEBI:211868 - 6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one

ChEBI IDCHEBI:211868
ChEBI Name6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESC/C=C/C=C/[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C14H14O4/c1-2-3-4-5-11-7-9-6-10(15)8-12(16)13(9)14(17)18-11/h2-6,8,11,15-16H,7H2,1H3/b3-2+,5-4+/t11-/m1/s1
InChIKeyOLFYYTGCAAOHGK-WANFKSSISA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (26771621)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6,8-dihydroxy-3-((1E,3E)-penta-1,3-dien-1-yl)isochroman-1-one (CHEBI:211868) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
6,8-dihydroxy-3-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
58196497ChemSpider