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CHEBI:204181 - Methylinoscavin A

ChEBI IDCHEBI:204181
ChEBI NameMethylinoscavin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O9
Net Charge0
Average Mass476.437
Monoisotopic Mass476.11073
SMILESCOc1cc(/C=C/c2cc3c(c(=O)o2)C2(OC(C)=CC2=O)C(c2ccc(O)c(O)c2)O3)ccc1O
InChIInChI=1S/C26H20O9/c1-13-9-22(30)26(35-13)23-21(34-24(26)15-5-8-17(27)19(29)11-15)12-16(33-25(23)31)6-3-14-4-7-18(28)20(10-14)32-2/h3-12,24,27-29H,1-2H3/b6-3+
InChIKeyLNCIAIFVVJWMRV-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Phellinus xeranticus (ncbitaxon:1143127) - PubMed (16499338)
ChEBI Ontology
Outgoing Relation(s)
Methylinoscavin A (CHEBI:204181) is a methoxybenzenes (CHEBI:51683)
Methylinoscavin A (CHEBI:204181) is a phenols (CHEBI:33853)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5'-methylspiro[2H-uro[3,2-c]pyran-3,2'-uran]-3',4-dione
Manual XrefsDatabases
9714958ChemSpider