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CHEBI:207676 - Isoaigialone C

ChEBI IDCHEBI:207676
ChEBI NameIsoaigialone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCCCCCCC[C@@H]1OC2=C(C(=O)O[C@H]2C)[C@H](O)[C@]1(C)O
InChIInChI=1S/C16H26O5/c1-4-5-6-7-8-9-11-16(3,19)14(17)12-13(21-11)10(2)20-15(12)18/h10-11,14,17,19H,4-9H2,1-3H3/t10-,11-,14-,16+/m0/s1
InChIKeyVVQFDQXQOOFTTF-KFYUAXIPSA-N
Species of MetaboliteComponentSourceComments
Phaeoacremoniumspecies (ncbitaxon:1769363) - PubMed (28425292)
ChEBI Ontology
Outgoing Relation(s)
Isoaigialone C (CHEBI:207676) is a butenolide (CHEBI:50523)
IUPAC Name 
(2S,3S,4S,7S)-2-heptyl-3,4-dihydroxy-3,7-dimethyl-4,7-dihydro-2H-uro[3,4-b]pyran-5-one
Manual XrefsDatabases
78440557ChemSpider