CHEBI:180723 - 6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one

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ChEBI Name 6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one
ChEBI ID CHEBI:180723
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O6
Net Charge 0
Average Mass 292.287
Monoisotopic Mass 292.09469
InChI InChI=1S/C15H16O6/c1-18-13-7-10(21-15(17)14(13)16)4-2-9-3-5-11-12(6-9)20-8-19-11/h3,5-6,10,16H,2,4,7-8H2,1H3
InChIKey KVSOEASKFKXGLP-UHFFFAOYSA-N
SMILES O1C(CCC2=CC=3OCOC3C=C2)CC(OC)=C(O)C1=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing 6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:180723) is a 2-pyranones (CHEBI:75885)
6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:180723) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-hydroxy-4-methoxy-2,3-dihydropyran-6-one
Manual Xrefs Databases
74852931 ChemSpider
HMDB0131690 HMDB
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