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CHEBI:225632 - Phomolactone A

ChEBI IDCHEBI:225632
ChEBI NamePhomolactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13ClO4
Net Charge0
Average Mass256.685
Monoisotopic Mass256.05024
SMILESCCC[C@@H]1Cc2c(O)c(Cl)cc(O)c2C(=O)O1
InChIInChI=1S/C12H13ClO4/c1-2-3-6-4-7-10(12(16)17-6)9(14)5-8(13)11(7)15/h5-6,14-15H,2-4H2,1H3/t6-/m1/s1
InChIKeySEIIWAQCIOACJZ-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1002/ejoc.200801052)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phomolactone A (CHEBI:225632) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-6-chloro-5,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78437787ChemSpider