CHEBI:201621 - Methylinoscavin B

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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 B
ChEBI ID CHEBI:201621
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H22O8
Net Charge 0
Average Mass 450.443
Monoisotopic Mass 450.13147
InChI InChI=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
InChIKey XCJITIROISCLRT-KZJNORADSA-N
SMILES O=C1OC(=CC2=C1/C(=C/C3=CC(O)=C(O)C=C3)/[C@](OC)(C)O2)/C=C/C4=CC(OC)=C(O)C=C4
Metabolite of Species Details
Phellinus xeranticus (NCBI:txid1143127) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
9851493 ChemSpider
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