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CHEBI:198236 - Phomopsilactone

ChEBI IDCHEBI:198236
ChEBI NamePhomopsilactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESC=C1OC(=O)c2c(O)c(C)c(O)c(C=O)c2[C@H]1C
InChIInChI=1S/C13H12O5/c1-5-7(3)18-13(17)10-9(5)8(4-14)11(15)6(2)12(10)16/h4-5,15-16H,3H2,1-2H3/t5-/m0/s1
InChIKeyMKXPEMIYFLKLRY-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1590/s0103-50532005000800029)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phomopsilactone (CHEBI:198236) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
6,8-dihydroxy-4,7-dimethyl-3-methylidene-1-oxo-4H-isochromene-5-carbaldehyde
Manual XrefsDatabases
9783234ChemSpider