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CHEBI:204237 - Basiliskamide A

ChEBI IDCHEBI:204237
ChEBI NameBasiliskamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO4
Net Charge0
Average Mass385.504
Monoisotopic Mass385.22531
SMILESCC[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](O)C/C=C/C=C\C(N)=O
InChIInChI=1S/C23H31NO4/c1-4-17(2)23(18(3)20(25)13-9-6-10-14-21(24)26)28-22(27)16-15-19-11-7-5-8-12-19/h5-12,14-18,20,23,25H,4,13H2,1-3H3,(H2,24,26)/b9-6+,14-10-,16-15+/t17-,18-,20-,23+/m1/s1
InChIKeyQAHZDGAHECEVRM-HXKCHMFGSA-N
Species of MetaboliteComponentSourceComments
Brevibacillus laterosporus (ncbitaxon:1465) - PubMed (12398541)
ChEBI Ontology
Outgoing Relation(s)
Basiliskamide A (CHEBI:204237) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
[(3R,4S,5R,6R,8E,10Z)-12-amino-6-hydroxy-3,5-dimethyl-12-oxododeca-8,10-dien-4-yl] (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
558786ChemSpider