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CHEBI:200352 - Inonotusin B

ChEBI IDCHEBI:200352
ChEBI NameInonotusin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H18O8
Net Charge0
Average Mass422.389
Monoisotopic Mass422.10017
SMILESCC(=O)C[C@@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21
InChIInChI=1S/C23H18O8/c1-11(24)6-20-14-9-18(27)19(28)10-15(14)22-21(31-20)8-13(30-23(22)29)4-2-12-3-5-16(25)17(26)7-12/h2-5,7-10,20,25-28H,6H2,1H3/b4-2+/t20-/m0/s1
InChIKeyUJLQHQYCNPJDFN-ZFDYTMOGSA-N
Species of MetaboliteComponentSourceComments
Inonotus hispidus (ncbitaxon:40469) - PubMed (21628917)
ChEBI Ontology
Outgoing Relation(s)
Inonotusin B (CHEBI:200352) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-(2-oxopropyl)-6H-pyrano[4,3-c]isochromen-1-one
Manual XrefsDatabases
78434658ChemSpider