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CHEBI:202905 - Brasilamide I

ChEBI IDCHEBI:202905
ChEBI NameBrasilamide I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO5
Net Charge0
Average Mass295.335
Monoisotopic Mass295.14197
SMILESC[C@@H](/C=C1/C=C(C2CCC(O)(CO)CC2)C(=O)O1)C(N)=O
InChIInChI=1S/C15H21NO5/c1-9(13(16)18)6-11-7-12(14(19)21-11)10-2-4-15(20,8-17)5-3-10/h6-7,9-10,17,20H,2-5,8H2,1H3,(H2,16,18)/b11-6-/t9-,10?,15?/m0/s1
InChIKeyIPIMCZYGNRWKDI-NMXRRJHVSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium brasiliense (ncbitaxon:300254) - PubMed (25760674)
ChEBI Ontology
Outgoing Relation(s)
Brasilamide I (CHEBI:202905) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
(3Z)-3-[4-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]-5-oxouran-2-ylidene]-2-methylpropanamide
Manual XrefsDatabases
78443639ChemSpider