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CHEBI:225040 - Acrimine B

ChEBI IDCHEBI:225040
ChEBI NameAcrimine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCC(C)(O)/C=C/C1=CC(=O)[C@](C)(O)CC1=O
InChIInChI=1S/C12H16O4/c1-11(2,15)5-4-8-6-10(14)12(3,16)7-9(8)13/h4-6,15-16H,7H2,1-3H3/b5-4+/t12-/m1/s1
InChIKeyYFSJQGDPFJQBQL-ZYOFXKKJSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - DOI (10.1016/j.tet.2005.05.094)
ChEBI Ontology
Outgoing Relation(s)
Acrimine B (CHEBI:225040) is a prenylquinone (CHEBI:26255)
IUPAC Name 
(5R)-5-hydroxy-2-[(E)-3-hydroxy-3-methylbut-1-enyl]-5-methylcyclohex-2-ene-1,4-dione
Manual XrefsDatabases
9531453ChemSpider