EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198578 - Alpha,alpha,6-Trimethyl-4-(3-hydroxy-5-methylphenoxy)-2,3-dihydrobenzofuran-2beta-methanol

ChEBI IDCHEBI:198578
ChEBI NameAlpha,alpha,6-Trimethyl-4-(3-hydroxy-5-methylphenoxy)-2,3-dihydrobenzofuran-2beta-methanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILESCc1cc(O)cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c1
InChIInChI=1S/C19H22O4/c1-11-5-13(20)9-14(6-11)22-16-7-12(2)8-17-15(16)10-18(23-17)19(3,4)21/h5-9,18,20-21H,10H2,1-4H3/t18-/m1/s1
InChIKeyNXECJMZOUKKGPN-GOSISDBHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2015.04.109)
ChEBI Ontology
Outgoing Relation(s)
Alpha,alpha,6-Trimethyl-4-(3-hydroxy-5-methylphenoxy)-2,3-dihydrobenzofuran-2beta-methanol (CHEBI:198578) is a aromatic ether (CHEBI:35618)
IUPAC Name 
3-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzouran-4-yl]oxy]-5-methylphenol
Manual XrefsDatabases
78440737ChemSpider