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CHEBI:198158 - Laccarin A

ChEBI IDCHEBI:198158
ChEBI NameLaccarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21N3O3
Net Charge0
Average Mass279.340
Monoisotopic Mass279.15829
SMILESCC(=O)C1=C2[C@H](NC1=O)[C@@H](C)CCN2C(=O)CCCN
InChIInChI=1S/C14H21N3O3/c1-8-5-7-17(10(19)4-3-6-15)13-11(9(2)18)14(20)16-12(8)13/h8,12H,3-7,15H2,1-2H3,(H,16,20)/t8-,12+/m0/s1
InChIKeyVXFFZKQBHIIPCJ-QPUJVOFHSA-N
Species of MetaboliteComponentSourceComments
Lactarius subplinthogalus (ncbitaxon:439404) - PubMed (14984090)
ChEBI Ontology
Outgoing Relation(s)
Laccarin A (CHEBI:198158) has functional parent γ-amino acid (CHEBI:33707)
Laccarin A (CHEBI:198158) is a organonitrogen compound (CHEBI:35352)
Laccarin A (CHEBI:198158) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(7S,7aR)-3-acetyl-4-(4-aminobutanoyl)-7-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridin-2-one
Manual XrefsDatabases
78440711ChemSpider