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CHEBI:204416 - Dihydroxyisoechinulin A

ChEBI IDCHEBI:204416
ChEBI NameDihydroxyisoechinulin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O4
Net Charge0
Average Mass425.529
Monoisotopic Mass425.23146
SMILESC=CC(C)(C)c1nc2ccc(C[C@H](O)C(C)(C)O)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,12-13,19,26,28,31H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b18-12-/t13-,19-/m0/s1
InChIKeyICDCJXUIMDWCFI-OWBKGHKZSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (15303494)
ChEBI Ontology
Outgoing Relation(s)
Dihydroxyisoechinulin A (CHEBI:204416) has functional parent α-amino acid (CHEBI:33704)
Dihydroxyisoechinulin A (CHEBI:204416) is a organonitrogen compound (CHEBI:35352)
Dihydroxyisoechinulin A (CHEBI:204416) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-[[5-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
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