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CHEBI:218773 - Spiroaspertrione A

ChEBI IDCHEBI:218773
ChEBI NameSpiroaspertrione A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC1=CC(=O)[C@]2(C)C=C3C(=O)OC[C@]13[C@@]1(CC[C@H]3C(C)(C)C(=O)C=C[C@]3(C)C1=O)C2
InChIInChI=1S/C25H28O5/c1-14-10-18(27)22(4)11-15-19(28)30-13-25(14,15)24(12-22)9-6-16-21(2,3)17(26)7-8-23(16,5)20(24)29/h7-8,10-11,16H,6,9,12-13H2,1-5H3/t16-,22+,23-,24-,25-/m0/s1
InChIKeyMIDLCYFJWSEKFO-NNKUPEEWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28219242)
ChEBI Ontology
Outgoing Relation(s)
Spiroaspertrione A (CHEBI:218773) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,4'aS,7S,8'aS,11R)-5',5',7,8'a,10-pentamethylspiro[3-oxatricyclo[5.3.2.01,5]dodeca-5,9-diene-11,2'-4,4a-dihydro-3H-naphthalene]-1',4,6',8-tetrone
Manual XrefsDatabases
62702345ChemSpider