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CHEBI:207852 - Inonotusin A

ChEBI IDCHEBI:207852
ChEBI NameInonotusin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESC[C@]1(O)CC(=O)C=C(/C=C/c2ccc(O)c(O)c2)OC1=O
InChIInChI=1S/C15H14O6/c1-15(20)8-10(16)7-11(21-14(15)19)4-2-9-3-5-12(17)13(18)6-9/h2-7,17-18,20H,8H2,1H3/b4-2+/t15-/m0/s1
InChIKeyLRGCEPOHIRBSJQ-OMDKTOEGSA-N
Species of MetaboliteComponentSourceComments
Inonotus hispidus (ncbitaxon:40469) - PubMed (21628917)
ChEBI Ontology
Outgoing Relation(s)
Inonotusin A (CHEBI:207852) is a catechols (CHEBI:33566)
IUPAC Name 
7-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-3-methyl-4H-oxepine-2,5-dione
Manual XrefsDatabases
28288795ChemSpider