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CHEBI:204778 - Biscopyran

ChEBI IDCHEBI:204778
ChEBI NameBiscopyran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESC/C=C(\OC)C(=O)[C@H]1OC2=C(C(C)=C1C)C(C)=C(C)[C@H](C(=O)/C(=C/C)OC)O2
InChIInChI=1S/C22H28O6/c1-9-15(25-7)18(23)20-13(5)11(3)17-12(4)14(6)21(28-22(17)27-20)19(24)16(10-2)26-8/h9-10,20-21H,1-8H3/b15-9-,16-10-/t20-,21+
InChIKeyYPPQLGPCXICENU-NAPRVIBBSA-N
Species of MetaboliteComponentSourceComments
Biscogniauxia mediterranea (ncbitaxon:97377) - PubMed (15844950)
ChEBI Ontology
Outgoing Relation(s)
Biscopyran (CHEBI:204778) is a pyrans (CHEBI:26407)
IUPAC Name 
(Z)-2-methoxy-1-[(2R,7S)-2-[(Z)-2-methoxybut-2-enoyl]-3,4,5,6-tetramethyl-2,7-dihydropyrano[2,3-b]pyran-7-yl]but-2-en-1-one
Manual XrefsDatabases
78437191ChemSpider