CHEBI:225677 - 7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
ChEBI ID CHEBI:225677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O8
Net Charge 0
Average Mass 414.410
Monoisotopic Mass 414.13147
InChI InChI=1S/C22H22O8/c1-29-15-5-3-11(23)19-17(15)13(25)7-9(21(19)27)10-8-14(26)18-16(30-2)6-4-12(24)20(18)22(10)28/h7-8,15-16,25-28H,3-6H2,1-2H3
InChIKey LPKDHIORBUNKFZ-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C(C3=C(O)C4=C(C(OC)CCC4=O)C(=C3)O)=CC(=C2C(OC)CC1)O
Metabolite of Species Details
[Malbranchea circinata (NCBI:txid465702) See: PubMed
ChEBI Ontology
Outgoing 7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one (CHEBI:225677) is a phenylpropanoid (CHEBI:26004)
IUPAC Name
7-(1,4-dihydroxy-5-methoxy-8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-5,8-dihydroxy-4-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual Xref Database
127444100 ChemSpider
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