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CHEBI:214771 - Lunatoic acid D

ChEBI IDCHEBI:214771
ChEBI NameLunatoic acid D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O8
Net Charge0
Average Mass406.431
Monoisotopic Mass406.16277
SMILESCC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)C=C2C=C(C=CC(=O)O)OC[C@]2(O)C1=O
InChIInChI=1S/C21H26O8/c1-5-12(2)8-13(3)18(25)29-20(4)16(22)10-14-9-15(6-7-17(23)24)28-11-21(14,27)19(20)26/h6-7,9-10,12-13,27H,5,8,11H2,1-4H3,(H,23,24)/t12-,13-,20+,21+/m0/s1
InChIKeyRVWFJCFWUHJETP-SPDQCEQOSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - DOI (10.1016/j.phytol.2019.12.010)
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 D (CHEBI:214771) is a azaphilone (CHEBI:50941)
IUPAC Name 
3-[(7R,8aS)-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-3-yl]prop-2-enoic acid