CHEBI:38760 - mellein

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ChEBI Name mellein
ChEBI ID CHEBI:38760
Definition An isochromane that is 3,4-dihydroisocoumarin bearing methyl and hydroxy substituents at positions 3 and 8 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H10O3
Net Charge 0
Average Mass 178.18460
Monoisotopic Mass 178.06299
InChI InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChIKey KWILGNNWGSNMPA-UHFFFAOYSA-N
SMILES CC1Cc2cccc(O)c2C(=O)O1
ChEBI Ontology
Outgoing mellein (CHEBI:38760) has functional parent isocoumarin (CHEBI:38759)
mellein (CHEBI:38760) is a isochromanes (CHEBI:38762)
Incoming (R)-6-methoxymellein (CHEBI:2212) has functional parent mellein (CHEBI:38760)
4-hydroxymellein (CHEBI:141335) has functional parent mellein (CHEBI:38760)
6-hydroxymellein (CHEBI:16368) has functional parent mellein (CHEBI:38760)
6-methoxymellein (CHEBI:16252) has functional parent mellein (CHEBI:38760)
IUPAC Name
8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
Synonyms Sources
3,4-Dihydro-8-hydroxy-3-methyl-(1H)-2-benzopyran-1-one NIST Chemistry WebBook
3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one NIST Chemistry WebBook
3,4-Dihydro-8-hydroxy-3-methylisocoumarin ChemIDplus
8-hydroxy-3-methylisochroman-1-one ChEBI
Ochracin ChemIDplus
Registry Numbers Types Sources
17397-85-2 CAS Registry Number NIST Chemistry WebBook
17397-85-2 CAS Registry Number ChemIDplus
83703 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17363259 PubMed citation Europe PMC
18213494 PubMed citation Europe PMC
18838830 PubMed citation Europe PMC
19072711 PubMed citation Europe PMC
20479969 PubMed citation Europe PMC
Last Modified
20 July 2011