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CHEBI:213446 - Dothideomynone B

ChEBI IDCHEBI:213446
ChEBI NameDothideomynone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCC1=CC2=C(Cc3c(O)cc(C)oc3=O)C(=O)[C@](C)(O)[C@@H](O)C2=CO1
InChIInChI=1S/C18H18O7/c1-8-4-10-11(6-12-14(19)5-9(2)25-17(12)22)15(20)18(3,23)16(21)13(10)7-24-8/h4-5,7,16,19,21,23H,6H2,1-3H3/t16-,18-/m0/s1
InChIKeyJAICSOGYASYZMJ-WMZOPIPTSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Dothideomynone B (CHEBI:213446) is a azaphilone (CHEBI:50941)
IUPAC Name 
(7R,8S)-7,8-dihydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-3,7-dimethyl-8H-isochromen-6-one
Manual XrefsDatabases
58132618ChemSpider