CHEBI:220811 - Nanangelenin 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 Nanangelenin A
ChEBI ID CHEBI:220811
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H27N3O5
Net Charge 0
Average Mass 449.507
Monoisotopic Mass 449.19507
InChI InChI=1S/C25H27N3O5/c1-6-25(3,4)28(33-16(2)29)21-14-10-8-12-18(21)23(31)26-19-15-22(30)17-11-7-9-13-20(17)27(5)24(19)32/h6-14,19H,1,15H2,2-5H3,(H,26,31)/t19-/m0/s1
InChIKey ZFMRDGPKNSRRND-IBGZPJMESA-N
SMILES O=C1N(C2=C(C=CC=C2)C(C[C@@H]1NC(=O)C3=C(N(OC(=O)C)C(C=C)(C)C)C=CC=C3)=O)C
Metabolite of Species Details
Aspergillus nanangensis (NCBI:txid2582783) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nanangelenin A (CHEBI:220811) is a N-acyl-amino acid (CHEBI:51569)