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CHEBI:202916 - Phomolactone B

ChEBI IDCHEBI:202916
ChEBI NamePhomolactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCCC[C@@H]1Cc2c(O)ccc(O)c2C(=O)O1
InChIInChI=1S/C12H14O4/c1-2-3-7-6-8-9(13)4-5-10(14)11(8)12(15)16-7/h4-5,7,13-14H,2-3,6H2,1H3/t7-/m1/s1
InChIKeyQCSZJTQLDKTFCT-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - 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 B (CHEBI:202916) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-5,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78436931ChemSpider