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CHEBI:200498 - Pyrenomycin

ChEBI IDCHEBI:200498
ChEBI NamePyrenomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCC[C@H](O)[C@H]1Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C12H14O5/c1-2-8(14)10-4-6-3-7(13)5-9(15)11(6)12(16)17-10/h3,5,8,10,13-15H,2,4H2,1H3/t8-,10+/m0/s1
InChIKeyPQXNDMCJKYKTCM-WCBMZHEXSA-N
Species of MetaboliteComponentSourceComments
Setophoma (ncbitaxon:798159) - PubMed (25574154)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyrenomycin (CHEBI:200498) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-6,8-dihydroxy-3-[(1S)-1-hydroxypropyl]-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
35516638ChemSpider