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CHEBI:213502 - Proserin B

ChEBI IDCHEBI:213502
ChEBI NameProserin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCOC(=O)c1cc(OC)c2c3c1OC(C)=CC(O)=C3[C@@H](O)OC2=O
InChIInChI=1S/C16H14O8/c1-6-4-8(17)10-12-11(16(20)24-15(10)19)9(21-2)5-7(13(12)23-6)14(18)22-3/h4-5,15,17,19H,1-3H3/t15-/m0/s1
InChIKeySZQCDAMPRNWLHM-HNNXBMFYSA-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 B (CHEBI:213502) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl 2,13-dihydroxy-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
78435117ChemSpider