CHEBI:214620 - Asperpentenone A

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ChEBI Name Asperpentenone A
ChEBI ID CHEBI:214620
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O5
Net Charge 0
Average Mass 298.379
Monoisotopic Mass 298.17802
InChI InChI=1S/C16H26O5/c1-8-9(2)16(20-7)13-12(18-5)10(3)14(17)15(13,19-6)11(4)21-16/h9,11,13H,8H2,1-7H3/t9-,11-,13-,15+,16+/m0/s1
InChIKey VZWRSZHZOZCVLT-SJNCAWHOSA-N
SMILES O=C1C(=C(OC)[C@H]2[C@]1(OC)[C@@H](O[C@]2(OC)[C@H](CC)C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Asperpentenone A (CHEBI:214620) is a ketal (CHEBI:59777)
IUPAC Name
(1S,3R,3aS,6aS)-3-[(2S)-butan-2-yl]-3,4,6a-trimethoxy-1,5-dimethyl-1,3a-dihydrocyclopenta[c]uran-6-one