CHEBI:218773 - Spiroaspertrione A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Spiroaspertrione A
ChEBI ID CHEBI:218773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O5
Net Charge 0
Average Mass 408.494
Monoisotopic Mass 408.19367
InChI InChI=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
InChIKey MIDLCYFJWSEKFO-NNKUPEEWSA-N
SMILES O=C1C=C([C@]23COC(C3=C[C@@]1(C[C@]42C(=O)[C@]5(C=CC(=O)C([C@@H]5CC4)(C)C)C)C)=O)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
62702345 ChemSpider
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