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CHEBI:208903 - Aculeatusquinone D

ChEBI IDCHEBI:208903
ChEBI NameAculeatusquinone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O7
Net Charge0
Average Mass346.335
Monoisotopic Mass346.10525
SMILESCO[C@]1(C)C(=O)C(O)=C(C)C(=O)[C@@]12Oc1c(C)c(O)cc(C)c1C2=O
InChIInChI=1S/C18H18O7/c1-7-6-10(19)8(2)13-11(7)15(22)18(25-13)14(21)9(3)12(20)16(23)17(18,4)24-5/h6,19-20H,1-5H3/t17-,18+/m1/s1
InChIKeyFCFHTOILPAFNFS-MSOLQXFVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - DOI (10.3987/com-13-12667)
ChEBI Ontology
Outgoing Relation(s)
Aculeatusquinone D (CHEBI:208903) is a benzofurans (CHEBI:35259)
IUPAC Name 
(2S,6'S)-2',6-dihydroxy-6'-methoxy-3',4,6',7-tetramethylspiro[1-benzouran-2,5'-cyclohex-2-ene]-1',3,4'-trione
Manual XrefsDatabases
29215668ChemSpider