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CHEBI:216176 - Astrophthalide

Default Structure
ChEBI IDCHEBI:216176
ChEBI NameAstrophthalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O6
Net Charge0
Average Mass252.222
Monoisotopic Mass252.06339
SMILESCOC(=O)c1ccc(O)c2c1[C@H]([C@@H](C)O)OC2=O
InChIInChI=1S/C12H12O6/c1-5(13)10-8-6(11(15)17-2)3-4-7(14)9(8)12(16)18-10/h3-5,10,13-14H,1-2H3/t5-,10+/m1/s1
InChIKeyBKNNTSDIJDLCKH-FWOIEVBISA-N
Species of MetaboliteComponentSourceComments
Astrocystis (ncbitaxon:190942) - DOI (10.1016/j.tet.2014.02.004)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Astrophthalide (CHEBI:216176) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl (3R)-7-hydroxy-3-[(1R)-1-hydroxyethyl]-1-oxo-3H-2-benzouran-4-carboxylate
Manual XrefsDatabases
32674848ChemSpider