CHEBI:169180 - 2,3,6-Trimethylphenol

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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 2,3,6-Trimethylphenol
ChEBI ID CHEBI:169180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H12O
Net Charge 0
Average Mass 136.194
Monoisotopic Mass 136.08882
InChI InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKey QQOMQLYQAXGHSU-UHFFFAOYSA-N
SMILES OC=1C(=C(C=CC1C)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 2,3,6-Trimethylphenol (CHEBI:169180) is a hydroxytoluene (CHEBI:24751)
IUPAC Name
2,3,6-trimethylphenol
Manual Xrefs Databases
16119 ChemSpider
HMDB0029667 HMDB
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Registry Number Type Source
2416-94-6 CAS Registry Number ChemIDplus