EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217742 - (13R)-diaporphthalide A

ChEBI IDCHEBI:217742
ChEBI Name(13R)-diaporphthalide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O7
Net Charge0
Average Mass296.275
Monoisotopic Mass296.08960
SMILESCOc1c(C)cc(C(=O)OC[C@H](O)CO)c2c1C(=O)OC2
InChIInChI=1S/C14H16O7/c1-7-3-9(13(17)20-5-8(16)4-15)10-6-21-14(18)11(10)12(7)19-2/h3,8,15-16H,4-6H2,1-2H3/t8-/m1/s1
InChIKeyMDQMINVPLUMWIC-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (29660469)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
(13R)-diaporphthalide A (CHEBI:217742) is a phthalate ester (CHEBI:35484)
IUPAC Name 
[(2R)-2,3-dihydroxypropyl] 7-methoxy-6-methyl-1-oxo-3H-2-benzouran-4-carboxylate