CHEBI:198307 - Methylinoscavin C

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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 C
ChEBI ID CHEBI:198307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H18O8
Net Charge 0
Average Mass 434.400
Monoisotopic Mass 434.10017
InChI InChI=1S/C24H18O8/c1-12(25)21-22-20(32-23(21)14-5-8-16(26)18(28)10-14)11-15(31-24(22)29)6-3-13-4-7-17(27)19(9-13)30-2/h3-11,26-28H,1-2H3/b6-3+
InChIKey LWDOBNFZTXHPQD-ZZXKWVIFSA-N
SMILES O=C1OC(=CC2=C1C(=C(C3=CC(O)=C(O)C=C3)O2)C(=O)C)/C=C/C4=CC(OC)=C(O)C=C4
Metabolite of Species Details
Phellinus xeranticus (NCBI:txid1143127) See: PubMed
ChEBI Ontology
Outgoing Methylinoscavin C (CHEBI:198307) is a methoxybenzenes (CHEBI:51683)
Methylinoscavin C (CHEBI:198307) is a phenols (CHEBI:33853)
IUPAC Name
3-acetyl-2-(3,4-dihydroxyphenyl)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]uro[3,2-c]pyran-4-one
Manual Xref Database
23269540 ChemSpider
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