EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211239 - (R)-4-((2,2-dimethylchroman-6-yl)methyl)-3-(4-hydroxyphenyl)-5-methoxyfuran-2(5H)-one

ChEBI IDCHEBI:211239
ChEBI Name(R)-4-((2,2-dimethylchroman-6-yl)methyl)-3-(4-hydroxyphenyl)-5-methoxyfuran-2(5H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O5
Net Charge0
Average Mass380.440
Monoisotopic Mass380.16237
SMILESCO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C23H24O5/c1-23(2)11-10-16-12-14(4-9-19(16)28-23)13-18-20(21(25)27-22(18)26-3)15-5-7-17(24)8-6-15/h4-9,12,22,24H,10-11,13H2,1-3H3/t22-/m1/s1
InChIKeyROKYRSDVVZPKIE-JOCHJYFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2017.11.039)
ChEBI Ontology
Outgoing Relation(s)
(R)-4-((2,2-dimethylchroman-6-yl)methyl)-3-(4-hydroxyphenyl)-5-methoxyfuran-2(5H)-one (CHEBI:211239) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2R)-3-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(4-hydroxyphenyl)-2-methoxy-2H-uran-5-one
Manual XrefsDatabases
71048804ChemSpider