CHEBI:218441 - Neoechinulin C

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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 C
ChEBI ID CHEBI:218441
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27N3O2
Net Charge 0
Average Mass 389.499
Monoisotopic Mass 389.21033
InChI InChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-11-10-16(9-8-14(2)3)12-19(17)26-21/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)/b20-13-
InChIKey WXWNIBJUIDHOOC-MOSHPQCFSA-N
SMILES O=C/1NC(C(=O)N\C1=C/C=2C3=C(C=C(CC=C(C)C)C=C3)NC2C(C=C)(C)C)=C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Neoechinulin C (CHEBI:218441) is a indoles (CHEBI:24828)
IUPAC Name
(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Manual Xref Database
10470949 ChemSpider
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