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CHEBI:81366 - Zhebeinine

ChEBI IDCHEBI:81366
ChEBI NameZhebeinine
Stars
DownloadsMolfile
FormulaC27H45NO3
Net Charge0
Average Mass431.661
Monoisotopic Mass431.33994
SMILES[H][C@@]12CC[C@]3([H])[C@](C)(O)[C@]4([H])CC[C@@H](C)CN4C[C@@]3([H])[C@]1([H])C[C@@]1([H])[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C
InChIInChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26-,27+/m1/s1
InChIKeyIUKLSMSEHKDIIP-SWOAVMBCSA-N
Roles Classification
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)
Zhebeinine (CHEBI:81366) is a alkaloid (CHEBI:22315)
Manual XrefsDatabases
C17881KEGG COMPOUND
Registry NumbersSources
CAS:135636-54-3KEGG COMPOUND