CHEBI:16536 - orcinol

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ChEBI Name orcinol ChEBI ID CHEBI:16536 Definition A 5-alkylresorcinol in which the alkyl group is specified as methyl. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:7780, CHEBI:14697, CHEBI:25694 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H8O2 Net Charge 0 Average Mass 124.13720 Monoisotopic Mass 124.05243 InChI InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3 InChIKey OIPPWFOQEKKFEE-UHFFFAOYSA-N SMILES Cc1cc(O)cc(O)c1 Metabolite of Species Details Ascomycota sp. Ind19F07 (NCBI:txid1583058) See: PubMed Aspergillus sydowii (NCBI:txid75750) Ethyl acetate extract of culture broth, fungus isolated from a sea fan, Annella sp. of strain PSU F154 See: PubMed Roles Classification Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing orcinol (CHEBI:16536) has role Aspergillus metabolite (CHEBI:76956) orcinol (CHEBI:16536) is a 5-alkylresorcinol (CHEBI:52679) orcinol (CHEBI:16536) is a dihydroxytoluene (CHEBI:64532) IUPAC Name 5-methylbenzene-1,3-diol Synonyms Sources 1,3-Dihydroxy-5-methylbenzene ChemIDplus 3,5-Dihydroxytoluene KEGG COMPOUND 3,5-Toluenediol KEGG COMPOUND 3-Hydroxy-5-methylphenol NIST Chemistry WebBook 5-Methyl-1,3-benzenediol KEGG COMPOUND 5-Methyl-1,3-dihydroxybenzene NIST Chemistry WebBook 5-Methylresorcinol KEGG COMPOUND Orcin NIST Chemistry WebBook Orcinol KEGG COMPOUND orcinol UniProt Manual Xrefs Databases C00002661 KNApSAcK C00727 KEGG COMPOUND c0155 UM-BBD Orcinol Wikipedia ORCINOL-CPD MetaCyc View more database links Registry Numbers Types Sources 1071903 Beilstein Registry Number ChemIDplus 1071903 Reaxys Registry Number Reaxys 504-15-4 CAS Registry Number KEGG COMPOUND 504-15-4 CAS Registry Number ChemIDplus 504-15-4 CAS Registry Number NIST Chemistry WebBook Citations Types Sources 20630753 PubMed citation Europe PMC 21108141 PubMed citation Europe PMC 21718031 PubMed citation Europe PMC 22196542 PubMed citation Europe PMC 25537370 PubMed citation Europe PMC 2719988 PubMed citation Europe PMC 3742332 PubMed citation Europe PMC Last Modified 06 June 2022