CHEBI:216913 - (+)-methyl sydowate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (+)-methyl sydowate
ChEBI ID CHEBI:216913
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O4
Net Charge 0
Average Mass 278.348
Monoisotopic Mass 278.15181
InChI InChI=1S/C16H22O4/c1-15(2)8-5-9-16(3,20-15)12-7-6-11(10-13(12)17)14(18)19-4/h6-7,10,17H,5,8-9H2,1-4H3/t16-/m1/s1
InChIKey HATUFMMWPRCINF-MRXNPFEDSA-N
SMILES O=C(OC)C1=CC(O)=C([C@@]2(OC(CCC2)(C)C)C)C=C1
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing (+)-methyl sydowate (CHEBI:216913) is a benzoate ester (CHEBI:36054)
(+)-methyl sydowate (CHEBI:216913) is a phenols (CHEBI:33853)
IUPAC Name
methyl 3-hydroxy-4-[(2R)-2,6,6-trimethyloxan-2-yl]benzoate
Manual Xref Database
27024794 ChemSpider
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