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CHEBI:208960 - 6beta,9alpha,14-trihydroxycinnamolide

ChEBI IDCHEBI:208960
ChEBI Name6beta,9alpha,14-trihydroxycinnamolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC[C@]1(CO)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1C(=O)OC[C@@]12O
InChIInChI=1S/C15H22O5/c1-13(7-16)4-3-5-14(2)11(13)10(17)6-9-12(18)20-8-15(9,14)19/h6,10-11,16-17,19H,3-5,7-8H2,1-2H3/t10-,11+,13-,14+,15-/m1/s1
InChIKeyUJJRRUBZBMMJJN-QFCKPIOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flocculosus (ncbitaxon:306089) - PubMed (31614563)
ChEBI Ontology
Outgoing Relation(s)
6beta,9alpha,14-trihydroxycinnamolide (CHEBI:208960) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(5R,5aS,6S,9aS,9bS)-5,9b-dihydroxy-6-(hydroxymethyl)-6,9a-dimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-3-one
Manual XrefsDatabases
79300756ChemSpider