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CHEBI:204449 - Akolitserin

Default Structure
ChEBI IDCHEBI:204449
ChEBI NameAkolitserin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O6
Net Charge0
Average Mass252.222
Monoisotopic Mass252.06339
SMILESCOC(=O)c1ccc(O)c2c1[C@H](O)[C@@H](C)OC2=O
InChIInChI=1S/C12H12O6/c1-5-10(14)8-6(11(15)17-2)3-4-7(13)9(8)12(16)18-5/h3-5,10,13-14H,1-2H3/t5-,10-/m1/s1
InChIKeyOIKSASBCRUAAKC-GPXNAGAYSA-N
Species of MetaboliteComponentSourceComments
Xylaria cubensis (ncbitaxon:114814) - DOI (10.1002/hlca.201400091)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Akolitserin (CHEBI:204449) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl (3R,4S)-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylate
Manual XrefsDatabases
78440991ChemSpider