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CHEBI:213244 - Eujavanoic acid A

ChEBI IDCHEBI:213244
ChEBI NameEujavanoic acid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESC[C@H]1C(=O)C=C2C[C@@H](O)CC[C@@H]2[C@H]1CCC(=O)O
InChIInChI=1S/C14H20O4/c1-8-11(4-5-14(17)18)12-3-2-10(15)6-9(12)7-13(8)16/h7-8,10-12,15H,2-6H2,1H3,(H,17,18)/t8-,10+,11+,12+/m1/s1
InChIKeyVKHRBGNIUZWZIQ-QTKMDUPCSA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - PubMed (15387665)
ChEBI Ontology
Outgoing Relation(s)
Eujavanoic acid A (CHEBI:213244) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
3-[(1R,2R,6S,8aR)-6-hydroxy-2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]propanoic acid
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9532128ChemSpider