CHEBI:231756 - 11-demethylbrucine(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 11-demethylbrucine(1+)
ChEBI ID CHEBI:231756
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 C22H25N2O4
Net Charge +1
Average Mass 381.451
Monoisotopic Mass 381.18088
InChI InChI=1S/C22H24N2O4/c1-27-16-7-13-14(8-15(16)25)24-19(26)9-17-20-12-6-18-22(13,21(20)24)3-4-23(18)10-11(12)2-5-28-17/h2,7-8,12,17-18,20-21,25H,3-6,9-10H2,1H3/p+1/t12-,17-,18-,20-,21-,22+/m0/s1
InChIKey ZOJKSTMZJYKGGH-QOQMYPBTSA-O
SMILES C1[C@@H]2[NH+]3CC[C@@]42[C@H]5N(C=6C4=CC(=C(C6)O)OC)C(C[C@H]7[C@@H]5[C@@H]1C(=CCO7)C3)=O
ChEBI Ontology
Outgoing 11-demethylbrucine(1+) (CHEBI:231756) is a indole alkaloid cation (CHEBI:60521)
Synonyms Sources
10-methoxy,11-hydroxy-strychnine SUBMITTER
11-demethyl-brucine SUBMITTER
11-demethylbrucine UniProt
Citation Waiting for Citations Type Source
35794473 PubMed citation SUBMITTER