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CHEBI:221937 - Cyclogregatin

ChEBI IDCHEBI:221937
ChEBI NameCyclogregatin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESCC/C=C/C=C\[C@@]1(C)OC2=C(C(=O)C[C@H](C)O2)C1=O
InChIInChI=1S/C15H18O4/c1-4-5-6-7-8-15(3)13(17)12-11(16)9-10(2)18-14(12)19-15/h5-8,10H,4,9H2,1-3H3/b6-5+,8-7-/t10-,15+/m0/s1
InChIKeyCELZYTLJFHLTOR-ZGSVFDMASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (3198499)
ChEBI Ontology
Outgoing Relation(s)
Cyclogregatin (CHEBI:221937) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,6S)-2-[(1Z,3E)-hexa-1,3-dienyl]-2,6-dimethyl-5,6-dihydrouro[2,3-b]pyran-3,4-dione
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78442966ChemSpider