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

ChEBI IDCHEBI:169651
ChEBI Name4-(3-hydroxybutyl)-2-methoxyphenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O3
Net Charge0
Average Mass196.246
Monoisotopic Mass196.10994
SMILESCOc1cc(CCC(C)O)ccc1O
InChIInChI=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
InChIKeyGTLGHKNKLRZSMO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
HMDB0135672HMDB
2284114ChemSpider
Registry NumbersSources
CAS:39728-80-8ChemIDplus