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CHEBI:207672 - Isoaigialone A

ChEBI IDCHEBI:207672
ChEBI NameIsoaigialone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O6
Net Charge0
Average Mass314.378
Monoisotopic Mass314.17294
SMILESCCCCCCC[C@H]1OC2=C(C(=O)O[C@@]2(C)O)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C16H26O6/c1-4-5-6-7-8-9-10-15(2,19)12(17)11-13(21-10)16(3,20)22-14(11)18/h10,12,17,19-20H,4-9H2,1-3H3/t10-,12-,15-,16-/m1/s1
InChIKeyJWQYBFBQJJWCNJ-QTDMDRALSA-N
Species of MetaboliteComponentSourceComments
Phaeoacremoniumspecies (ncbitaxon:1769363) - PubMed (28425292)
ChEBI Ontology
Outgoing Relation(s)
Isoaigialone A (CHEBI:207672) is a butenolide (CHEBI:50523)
IUPAC Name 
(2R,3S,4R,7R)-2-heptyl-3,4,7-trihydroxy-3,7-dimethyl-2,4-dihydrouro[3,4-b]pyran-5-one
Manual XrefsDatabases
78440555ChemSpider