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CHEBI:204972 - Lunatoic acid A

ChEBI IDCHEBI:204972
ChEBI NameLunatoic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILESCC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(/C=C/C(=O)O)OC=C2C1=O
InChIInChI=1S/C21H24O7/c1-5-12(2)8-13(3)20(26)28-21(4)17(22)10-14-9-15(6-7-18(23)24)27-11-16(14)19(21)25/h6-7,9-13H,5,8H2,1-4H3,(H,23,24)/b7-6+/t12-,13-,21-/m0/s1
InChIKeyOLWIMRNZAPOZHB-BMNIYZFNSA-N
Species of MetaboliteComponentSourceComments
Curvularia lunata (ncbitaxon:5503) - DOI (10.1016/s0040-4039(01)83831-4)
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)
Lunatoic acid A (CHEBI:204972) is a azaphilone (CHEBI:50941)
IUPAC Name 
(E)-3-[(7S)-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid
Manual XrefsDatabases
78437223ChemSpider