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CHEBI:230112 - Gomphrenol

ChEBI IDCHEBI:230112
ChEBI NameGomphrenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H10O7
Net Charge0
Average Mass314.249
Monoisotopic Mass314.04265
SMILESO=c1c(O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3
InChIInChI=1S/C16H10O7/c17-8-3-1-7(2-4-8)15-14(20)12(18)11-9(23-15)5-10-16(13(11)19)22-6-21-10/h1-5,17,19-20H,6H2
InChIKeyWBQNGHIOSSPSDW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Gomphrenol (CHEBI:230112) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
7,9-dihydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Manual XrefsDatabases
LMPK12112878LIPID MAPS
8058980ChemSpider