CHEBI:204181 - Methylinoscavin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Methylinoscavin A
ChEBI ID CHEBI:204181
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H20O9
Net Charge 0
Average Mass 476.437
Monoisotopic Mass 476.11073
InChI InChI=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+
InChIKey LNCIAIFVVJWMRV-ZZXKWVIFSA-N
SMILES O=C1OC(=CC2=C1C3(OC(C)=CC3=O)C(C4=CC(O)=C(O)C=C4)O2)/C=C/C5=CC(OC)=C(O)C=C5
Metabolite of Species Details
Phellinus xeranticus (NCBI:txid1143127) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
9714958 ChemSpider
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