CHEBI:67766 - (R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one

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ChEBI Name (R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
ChEBI ID CHEBI:67766
Definition A natural product found in Leptosphaeria species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C13H16O5
Net Charge 0
Average Mass 252.26310
Monoisotopic Mass 252.09977
InChI InChI=1S/C13H16O5/c1-6-9(17-4)5-8(15)10-11(6)13(3,7(2)14)18-12(10)16/h5,7,14-15H,1-4H3/t7-,13-/m0/s1
InChIKey YKQYIQHWWYVPHK-CPFSXVBKSA-N
SMILES COc1cc(O)c2C(=O)O[C@@](C)([C@H](C)O)c2c1C
Metabolite of Species Details
Leptospeciesaeria (NCBI:txid5021) Ethylacetate extract of culture broth of strain KTC 727 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.
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ChEBI Ontology
Outgoing (R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one (CHEBI:67766) has role metabolite (CHEBI:25212)
(R)-7-Hydroxy-3-((S)-1-hydroxyethyl)-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one (CHEBI:67766) is a 2-benzofurans (CHEBI:38831)
Citation Waiting for Citations Type Source
21265556 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:hydroxytoluene(CHEBI:24751); ISA:aromatic ether(CHEBI:35618); ISA:toluenes(CHEBI:27024); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);