CHEBI:214298 - (+)-neoechinulin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (+)-neoechinulin A
ChEBI ID CHEBI:214298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H21N3O2
Net Charge 0
Average Mass 323.396
Monoisotopic Mass 323.16338
InChI InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m1/s1
InChIKey MYRPIYZIAHOECW-MKVLZVNKSA-N
SMILES O=C/1N[C@@H](C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)C
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing (+)-neoechinulin A (CHEBI:214298) has functional parent α-amino acid (CHEBI:33704)
(+)-neoechinulin A (CHEBI:214298) is a organonitrogen compound (CHEBI:35352)
(+)-neoechinulin A (CHEBI:214298) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Manual Xref Database
26485365 ChemSpider
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