CHEBI:229199 - Demethyleneberberine

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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 Demethyleneberberine
ChEBI ID CHEBI:229199
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H18NO4
Net Charge +1
Average Mass 324.355
Monoisotopic Mass 324.12303
InChI InChI=1S/C19H17NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,7-10,22H,5-6H2,1-2H3/p+1
InChIKey HVTCKKMWZDDWOY-UHFFFAOYSA-O
SMILES O(C=1C2=C[N+]=3CCC=4C(C3C=C2C=CC1OC)=CC(O)=C(O)C4)C
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in exometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing Demethyleneberberine (CHEBI:229199) is a isoquinolines (CHEBI:24922)
IUPAC Name
9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,3-diol
Manual Xref Database
322394 ChemSpider
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