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CHEBI:226875 - Proserin C

ChEBI IDCHEBI:226875
ChEBI NameProserin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O8
Net Charge0
Average Mass348.307
Monoisotopic Mass348.08452
SMILESCOC(=O)c1cc(OC)c2c3c1OC(C)=CC(O)=C3[C@@H](OC)OC2=O
InChIInChI=1S/C17H16O8/c1-7-5-9(18)11-13-12(16(20)25-17(11)23-4)10(21-2)6-8(14(13)24-7)15(19)22-3/h5-6,17-18H,1-4H3/t17-/m0/s1
InChIKeyARPKIESCUHOTPR-KRWDZBQOSA-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 C (CHEBI:226875) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl 13-hydroxy-2,6-dimethoxy-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
78435067ChemSpider