CHEBI:215404 - Avenaciolid 1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Avenaciolid 1
ChEBI ID CHEBI:215404
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O4
Net Charge 0
Average Mass 266.337
Monoisotopic Mass 266.15181
InChI InChI=1S/C15H22O4/c1-3-4-5-6-7-8-9-11-12-10(2)14(16)19-13(12)15(17)18-11/h11-13H,2-9H2,1H3/t11-,12-,13-/m1/s1
InChIKey GSTQYRQXFPSWSH-JHJVBQTASA-N
SMILES O=C1O[C@H]2C(=O)O[C@@H]([C@H]2C1=C)CCCCCCCC
Metabolite of Species Details
Aspergillus fischeri (NCBI:txid36630) See: PubMed
ChEBI Ontology
Outgoing Avenaciolid 1 (CHEBI:215404) is a furofuran (CHEBI:47790)
IUPAC Name
(3aR,4R,6aR)-3-methylidene-4-octyl-4,6a-dihydro-3aH-uro[3,4-b]uran-2,6-dione
Manual Xref Database
9922230 ChemSpider
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