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CHEBI:208994 - Nodulisporacid A

ChEBI IDCHEBI:208994
ChEBI NameNodulisporacid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESCC[C@@H](C)C[C@]1(C)C=C/C(=C2/C(=O)O[C@H](CC(=O)O)C2=O)O1
InChIInChI=1S/C16H20O6/c1-4-9(2)8-16(3)6-5-10(22-16)13-14(19)11(7-12(17)18)21-15(13)20/h5-6,9,11H,4,7-8H2,1-3H3,(H,17,18)/b13-10-/t9-,11-,16+/m1/s1
InChIKeyPJLKMFDHUJBABS-LINSJVKWSA-N
Species of MetaboliteComponentSourceComments
Nodulisporium (ncbitaxon:96453) - PubMed (18804825)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporacid A (CHEBI:208994) is a γ-lactone (CHEBI:37581)
IUPAC Name 
2-[(2R,4Z)-4-[(5R)-5-methyl-5-[(2R)-2-methylbutyl]uran-2-ylidene]-3,5-dioxooxolan-2-yl]acetic acid
Manual XrefsDatabases
28287707ChemSpider