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CHEBI:69164 - Epimauritine A N-oxide

ChEBI IDCHEBI:69164
ChEBI NameEpimauritine A N-oxide
Stars
DefinitionA natural product found in Ziziphus apetala.
Last Modified1 February 2017
DownloadsMolfile
FormulaC32H41N5O6
Net Charge0
Average Mass591.709
Monoisotopic Mass591.30568
SMILES[H][C@@]12C(=O)N[C@@H](Cc3ccccc3)C(=O)N/C=C\c3ccc(cc3)O[C@@]1([H])CCN2C(=O)[C@@H](NC(=O)[C@@H](C)[N+](C)(C)[O-])C(C)C
InChIInChI=1S/C32H41N5O6/c1-20(2)27(35-29(38)21(3)37(4,5)42)32(41)36-18-16-26-28(36)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(43-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-/t21-,25+,26+,27+,28+/m1/s1
InChIKeyMWQUPAZWQQWEPK-FADZAQNWSA-N
Species of MetaboliteComponentSourceComments
Ziziphus apetala (ncbitaxon:478035) stem (BTO:0001300) PubMed (22148241) 95% EtOH extract of Air-dried and powdered stems
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Epimauritine A N-oxide (CHEBI:69164) has role metabolite (CHEBI:25212)
Epimauritine A N-oxide (CHEBI:69164) is a cyclic peptide (CHEBI:23449)
Epimauritine A N-oxide (CHEBI:69164) is a tertiary amine oxide (CHEBI:134363)
Citations