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CHEBI:80785 - Plakinamine B

Default Structure
ChEBI IDCHEBI:80785
ChEBI NamePlakinamine B
Stars
DownloadsMolfile
FormulaC31H50N2
Net Charge0
Average Mass450.755
Monoisotopic Mass450.39740
SMILES[H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)/C=C/C3=C(C)CN(C)CC3)[C@@]1(C)CC[C@@H](NC)C2
InChIInChI=1S/C31H50N2/c1-21(7-8-23-15-18-33(6)20-22(23)2)27-11-12-28-26-10-9-24-19-25(32-5)13-16-30(24,3)29(26)14-17-31(27,28)4/h7-8,10,21,24-25,27-29,32H,9,11-20H2,1-6H3/b8-7+/t21-,24+,25-,27-,28+,29+,30+,31-/m1/s1
InChIKeyWYVDKLLQGBHWHH-JHMJTLKLSA-N
ChEBI Ontology
Outgoing Relation(s)
Plakinamine B (CHEBI:80785) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C16895KEGG COMPOUND
Registry NumbersSources
CAS:93474-14-7KEGG COMPOUND