CHEBI:3065 - Berberastine

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ChEBI Name Berberastine
ChEBI ID CHEBI:3065
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H18NO5
Net Charge +1
Average Mass 352.361
Monoisotopic Mass 352.11795
InChI InChI=1S/C20H18NO5/c1-23-17-4-3-11-5-15-12-6-18-19(26-10-25-18)7-13(12)16(22)9-21(15)8-14(11)20(17)24-2/h3-8,16,22H,9-10H2,1-2H3/q+1
InChIKey VFCGRXCCUHLLIP-UHFFFAOYSA-N
SMILES COc1ccc2cc3-c4cc5OCOc5cc4C(O)C[n+]3cc2c1OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Berberastine (CHEBI:3065) is a alkaloid (CHEBI:22315)
Synonym Source
Berberastine KEGG COMPOUND
Manual Xrefs Databases
C00001818 KNApSAcK
C09360 KEGG COMPOUND
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Registry Number Type Source
2435-73-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014