EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184753 - 2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:184753
ChEBI Name2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESCCc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1O
InChIInChI=1S/C17H18O5/c1-2-9-3-4-10(5-13(9)19)17-15(21)8-12-14(20)6-11(18)7-16(12)22-17/h3-7,15,17-21H,2,8H2,1H3
InChIKeyMTXIBMJJUOBDJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:184753) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0127866HMDB
74852053ChemSpider