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CHEBI:220022 - Malettinin A

ChEBI IDCHEBI:220022
ChEBI NameMalettinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCC1=CO[C@@]2(Oc3cc(=O)c(O)cc(C)c3C[C@@H]2C)C1=O
InChIInChI=1S/C16H16O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6-7,10H,5H2,1-3H3,(H,17,18)/t10-,16-/m0/s1
InChIKeyQVKZINLSZSENCW-QFYYESIMSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - DOI (10.1016/j.tetlet.2003.08.057)
ChEBI Ontology
Outgoing Relation(s)
Malettinin A (CHEBI:220022) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(2S,3S)-7-hydroxy-3,4',5-trimethylspiro[3,4-dihydrocyclohepta[b]pyran-2,2'-uran]-3',8-dione
Manual XrefsDatabases
78440279ChemSpider