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CHEBI:213249 - Aspercyclide A

ChEBI IDCHEBI:213249
ChEBI NameAspercyclide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O6
Net Charge0
Average Mass410.466
Monoisotopic Mass410.17294
SMILESCCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2/C=C/[C@@H]1O
InChIInChI=1S/C24H26O6/c1-3-4-5-6-23-21(27)10-9-17-19(14-25)20(26)11-12-22(17)29-16-8-7-15(2)18(13-16)24(28)30-23/h7-14,21,23,26-27H,3-6H2,1-2H3/b10-9+/t21-,23-/m0/s1
InChIKeyWLRAIWMXLNQMDK-QOWNCMNNSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2004.08.116)
ChEBI Ontology
Outgoing Relation(s)
Aspercyclide A (CHEBI:213249) is a aromatic ether (CHEBI:35618)
IUPAC Name 
(9E,11S,12S)-6,11-dihydroxy-16-methyl-14-oxo-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaene-7-carbaldehyde
Manual XrefsDatabases
78438030ChemSpider