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CHEBI:206563 - Inonoblin C

ChEBI IDCHEBI:206563
ChEBI NameInonoblin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H18O9
Net Charge0
Average Mass462.410
Monoisotopic Mass462.09508
SMILESCc1cc(=O)cc(-c2cc(O)c(O)cc2-c2c(O)cc(/C=C/c3ccc(O)c(O)c3)oc2=O)o1
InChIInChI=1S/C25H18O9/c1-12-6-14(26)8-23(33-12)16-10-20(29)21(30)11-17(16)24-22(31)9-15(34-25(24)32)4-2-13-3-5-18(27)19(28)7-13/h2-11,27-31H,1H3/b4-2+
InChIKeyWJHRLIAIIVRKTD-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (17980585)
ChEBI Ontology
Outgoing Relation(s)
Inonoblin C (CHEBI:206563) is a catechols (CHEBI:33566)
IUPAC Name 
3-[4,5-dihydroxy-2-(6-methyl-4-oxopyran-2-yl)phenyl]-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one
Manual XrefsDatabases
23298718ChemSpider