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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
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Formula C7H8O2
Net Charge 0
Average Mass 124.13720
Monoisotopic Mass 124.052
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
Aspergillus sydowii (NCBI:75750) 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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing orcinol (CHEBI:16536) has role metabolite (CHEBI:25212)
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
Database Links 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 Waiting for Citations Types Sources
20630753 PubMed citation Europe PMC
21108141 PubMed citation Europe PMC
22196542 PubMed citation Europe PMC
2719988 PubMed citation Europe PMC
3742332 PubMed citation Europe PMC
Last Modified
27 April 2016