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CHEBI:213450 - (-)-leptothalenone A

ChEBI IDCHEBI:213450
ChEBI Name(-)-leptothalenone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc2c(c(O)c1[C@@H](C)O)C(=O)CC[C@H]2O
InChIInChI=1S/C13H16O5/c1-6(14)11-10(18-2)5-7-8(15)3-4-9(16)12(7)13(11)17/h5-6,8,14-15,17H,3-4H2,1-2H3/t6-,8-/m1/s1
InChIKeyIFLJDWXLZKLDFI-HTRCEHHLSA-N
Species of MetaboliteComponentSourceComments
Leptosphaerulina (ncbitaxon:55172) - PubMed (29883375)
ChEBI Ontology
Outgoing Relation(s)
(-)-leptothalenone A (CHEBI:213450) is a tetralins (CHEBI:36786)
IUPAC Name 
(4R)-4,8-dihydroxy-7-[(1R)-1-hydroxyethyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
65325032ChemSpider