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CHEBI:220555 - 1',2'-dehydropenicillide

ChEBI IDCHEBI:220555
ChEBI Name1',2'-dehydropenicillide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCOc1c(/C=C/C(C)(C)O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C21H22O6/c1-12-9-14-11-26-20(23)17-16(27-18(14)15(22)10-12)6-5-13(19(17)25-4)7-8-21(2,3)24/h5-10,22,24H,11H2,1-4H3/b8-7+
InChIKeyCDCIKAPGWWMGGE-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (31474098)
ChEBI Ontology
Outgoing Relation(s)
1',2'-dehydropenicillide (CHEBI:220555) is a aromatic ether (CHEBI:35618)
IUPAC Name 
6-hydroxy-2-[(E)-3-hydroxy-3-methylbut-1-enyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one
Manual XrefsDatabases
8072482ChemSpider