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CHEBI:9040 - Sativanine B

ChEBI IDCHEBI:9040
ChEBI NameSativanine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H38N4O4
Net Charge0
Average Mass518.658
Monoisotopic Mass518.28931
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](C(C)C)NC(=O)[C@H]1N1CN(C)C(CCCC)C1=O
InChIInChI=1S/C30H38N4O4/c1-5-6-12-24-30(37)34(19-33(24)4)26-27(22-10-8-7-9-11-22)38-23-15-13-21(14-16-23)17-18-31-28(35)25(20(2)3)32-29(26)36/h7-11,13-18,20,24-27H,5-6,12,19H2,1-4H3,(H,31,35)(H,32,36)/b18-17-/t24?,25-,26-,27+/m0/s1
InChIKeyWAYZHHGAMCRHBA-TYLJBMGJSA-N
ChEBI Ontology
Outgoing Relation(s)
Sativanine B (CHEBI:9040) is a azamacrocycle (CHEBI:52898)
Sativanine B (CHEBI:9040) is a lactam (CHEBI:24995)
Synonym  Source
Sativanine BKEGG COMPOUND
Manual XrefsDatabases
C10013KEGG COMPOUND
C00002008KNApSAcK
Registry NumbersSources
CAS:72361-60-5KEGG COMPOUND