CHEBI:169651 - 4-(3-hydroxybutyl)-2-methoxyphenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 4-(3-hydroxybutyl)-2-methoxyphenol
ChEBI ID CHEBI:169651
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H16O3
Net Charge 0
Average Mass 196.246
Monoisotopic Mass 196.10994
InChI InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3
InChIKey GTLGHKNKLRZSMO-UHFFFAOYSA-N
SMILES OC(CCC1=CC(OC)=C(O)C=C1)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 4-(3-hydroxybutyl)-2-methoxyphenol (CHEBI:169651) is a methoxybenzenes (CHEBI:51683)
4-(3-hydroxybutyl)-2-methoxyphenol (CHEBI:169651) is a phenols (CHEBI:33853)
IUPAC Name
4-(3-hydroxybutyl)-2-methoxyphenol
Manual Xrefs Databases
2284114 ChemSpider
HMDB0135672 HMDB
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Registry Number Type Source
39728-80-8 CAS Registry Number ChemIDplus