CHEBI:231757 - brucine(1+)

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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 brucine(1+)
ChEBI ID CHEBI:231757
Definition Major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C23H27N2O4
Net Charge +1
Average Mass 395.478
Monoisotopic Mass 395.19653
InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/p+1/t13-,18-,19-,21-,22-,23+/m0/s1
InChIKey RRKTZKIUPZVBMF-IBTVXLQLSA-O
SMILES C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)OC)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O
ChEBI Ontology
Outgoing brucine(1+) (CHEBI:231757) is a indole alkaloid cation (CHEBI:60521)
Synonyms Sources
10,11-dimethoxy-strychnine SUBMITTER
brucine UniProt