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

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ChEBI Name	(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one

ChEBI ID	CHEBI:69695

Definition	A natural product found in Pestalotiopsis virgatula.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O4

Net Charge

Average Mass

222.23720

Monoisotopic Mass

222.08921

InChI

InChI=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

InChIKey

BBGDMJGYFNHPDK-KRTXAFLBSA-N

SMILES

C[C@@H](O)C(=O)C[C@@H]1OCc2c(O)cccc12

Metabolite of Species	Details
Pestalotiopsis virgatula (NCBI:txid290289)	Found in mycelium (BTO:0001436). Endophytic fungus derived from the plant Terminalia chebula. See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	(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)

Citation	Type	Source
21942847	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:Acyloin(CHEBI:2468); ISA:ketone(CHEBI:17087); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);