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CHEBI:227380 - Dothideomynone A

ChEBI IDCHEBI:227380
ChEBI NameDothideomynone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCc1c(O)cc(O)c2c1[C@H](C)[C@](C)(CO)OC2=O
InChIInChI=1S/C13H16O5/c1-6-8(15)4-9(16)11-10(6)7(2)13(3,5-14)18-12(11)17/h4,7,14-16H,5H2,1-3H3/t7-,13-/m0/s1
InChIKeyGBWLGRAZVBKSQO-CPFSXVBKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dothideomynone A (CHEBI:227380) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R,4S)-6,8-dihydroxy-3-(hydroxymethyl)-3,4,5-trimethyl-4H-isochromen-1-one
Manual XrefsDatabases
78443408ChemSpider