EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201621 - Methylinoscavin B

ChEBI IDCHEBI:201621
ChEBI NameMethylinoscavin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O8
Net Charge0
Average Mass450.443
Monoisotopic Mass450.13147
SMILESCOc1cc(/C=C/c2cc3c(c(=O)o2)/C(=C/c2ccc(O)c(O)c2)[C@@](C)(OC)O3)ccc1O
InChIInChI=1S/C25H22O8/c1-25(31-3)17(10-15-6-8-18(26)20(28)11-15)23-22(33-25)13-16(32-24(23)29)7-4-14-5-9-19(27)21(12-14)30-2/h4-13,26-28H,1-3H3/b7-4+,17-10-/t25-/m0/s1
InChIKeyXCJITIROISCLRT-KZJNORADSA-N
Species of MetaboliteComponentSourceComments
Phellinus xeranticus (ncbitaxon:1143127) - PubMed (16499338)
ChEBI Ontology
Outgoing Relation(s)
Methylinoscavin B (CHEBI:201621) is a methoxybenzenes (CHEBI:51683)
Methylinoscavin B (CHEBI:201621) is a phenols (CHEBI:33853)
IUPAC Name 
(3Z)-3-[(3,4-dihydroxyphenyl)methylidene]-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxy-2-methyluro[3,2-c]pyran-4-one
Manual XrefsDatabases
9851493ChemSpider