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CHEBI:218810 - Cristatumin A

ChEBI IDCHEBI:218810
ChEBI NameCristatumin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21N3O3
Net Charge0
Average Mass339.395
Monoisotopic Mass339.15829
SMILESC=CC(C)(C)c1nc2ccccc2c1/C=C1\NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C19H21N3O3/c1-4-19(2,3)16-12(11-7-5-6-8-13(11)20-16)9-14-17(24)22-15(10-23)18(25)21-14/h4-9,15,20,23H,1,10H2,2-3H3,(H,21,25)(H,22,24)/b14-9-/t15-/m0/s1
InChIKeyQIODLACTMHCZRD-MZLJFPOFSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (22727636)
ChEBI Ontology
Outgoing Relation(s)
Cristatumin A (CHEBI:218810) has functional parent α-amino acid (CHEBI:33704)
Cristatumin A (CHEBI:218810) is a organonitrogen compound (CHEBI:35352)
Cristatumin A (CHEBI:218810) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6Z)-3-(hydroxymethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Manual XrefsDatabases
28510935ChemSpider