CHEBI:182794 - (+/-)-Dihydromethysticin

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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 (+/-)-Dihydromethysticin
ChEBI ID CHEBI:182794
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H16O5
Net Charge 0
Average Mass 276.288
Monoisotopic Mass 276.09977
InChI InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3
InChIKey RSIWXFIBHXYNFM-UHFFFAOYSA-N
SMILES O1C(CCC2=CC=3OCOC3C=C2)CC(OC)=CC1=O
ChEBI Ontology
Outgoing (+/-)-Dihydromethysticin (CHEBI:182794) is a 2-pyranones (CHEBI:75885)
(+/-)-Dihydromethysticin (CHEBI:182794) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Manual Xrefs Databases
200147 ChemSpider
HMDB0030791 HMDB
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Registry Number Type Source
6581-46-0 CAS Registry Number ChemIDplus