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CHEBI:69695 - (R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one

ChEBI IDCHEBI:69695
ChEBI Name(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one
Stars
DefinitionA natural product found in Pestalotiopsis virgatula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESC[C@@H](O)C(=O)C[C@@H]1OCc2c(O)cccc21
InChIInChI=1S/C12H14O4/c1-7(13)11(15)5-12-8-3-2-4-10(14)9(8)6-16-12/h2-4,7,12-14H,5-6H2,1H3/t7-,12+/m1/s1
InChIKeyBBGDMJGYFNHPDK-KRTXAFLBSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis virgatula (ncbitaxon:290289) mycelium (BTO:0001436) PubMed (21942847) Endophytic fungus derived from the plant Terminalia chebula.
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one (CHEBI:69695) has role metabolite (CHEBI:25212)
(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one (CHEBI:69695) is a phenols (CHEBI:33853)
Citations