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CHEBI:226722 - Phomolactone C

ChEBI IDCHEBI:226722
ChEBI NamePhomolactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCCC[C@@H]1Cc2ccc(O)c(O)c2C(=O)O1
InChIInChI=1S/C12H14O4/c1-2-3-8-6-7-4-5-9(13)11(14)10(7)12(15)16-8/h4-5,8,13-14H,2-3,6H2,1H3/t8-/m1/s1
InChIKeyQMRKBQDMSRODGM-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1002/ejoc.200801052)
ChEBI Ontology
Outgoing Relation(s)
Phomolactone C (CHEBI:226722) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78437814ChemSpider