EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226590 - Proserin A

ChEBI IDCHEBI:226590
ChEBI NameProserin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOC(=O)c1cc(OC)c2c3c1OC(C)=CC(O)=C3COC2=O
InChIInChI=1S/C16H14O7/c1-7-4-10(17)9-6-22-16(19)13-11(20-2)5-8(15(18)21-3)14(23-7)12(9)13/h4-5,17H,6H2,1-3H3
InChIKeyUOZNHTRGIJZLAD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Graphis proserpens (ncbitaxon:996888) - PubMed (21612806)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Proserin A (CHEBI:226590) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl 13-hydroxy-6-methoxy-11-methyl-4-oxo-3,10-dioxatricyclo[7.4.1.05,14]tetradeca-1(13),5,7,9(14),11-pentaene-8-carboxylate
Manual XrefsDatabases
28288848ChemSpider