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CHEBI:8402 - Pretazettine

ChEBI IDCHEBI:8402
ChEBI NamePretazettine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H21NO5
Net Charge0
Average Mass331.368
Monoisotopic Mass331.14197
SMILES[H][C@]12CN(C)[C@@]3([H])C[C@H](OC)C=C[C@@]13c1cc3c(cc1[C@H](O)O2)OCO3
InChIInChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1
InChIKeyKLJOYDMUWKSYBP-YNBLHMCPSA-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)
Pretazettine (CHEBI:8402) is a alkaloid (CHEBI:22315)
Synonym  Source
PretazettineKEGG COMPOUND
Manual XrefsDatabases
C00001580KNApSAcK
C08536KEGG COMPOUND
Registry NumbersSources
CAS:17322-84-8KEGG COMPOUND