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CHEBI:214549 - Xylariamalirin

ChEBI IDCHEBI:214549
ChEBI NameXylariamalirin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCOC(=O)c1ccc(O)c2c1[C@H](OC)[C@@H](C)OC2=O
InChIInChI=1S/C13H14O6/c1-6-11(17-2)9-7(12(15)18-3)4-5-8(14)10(9)13(16)19-6/h4-6,11,14H,1-3H3/t6-,11-/m1/s1
InChIKeyIHELZRODRRMQFZ-KSBSHMNSSA-N
Species of MetaboliteComponentSourceComments
Xylaria mali (ncbitaxon:114819) - DOI (10.1007/s10600-020-02992-6)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Xylariamalirin (CHEBI:214549) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl (3R,4S)-8-hydroxy-4-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylate