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CHEBI:220811 - Nanangelenin A

ChEBI IDCHEBI:220811
ChEBI NameNanangelenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27N3O5
Net Charge0
Average Mass449.507
Monoisotopic Mass449.19507
SMILESC=CC(C)(C)N(OC(C)=O)c1ccccc1C(=O)N[C@H]1CC(=O)c2ccccc2N(C)C1=O
InChIInChI=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
InChIKeyZFMRDGPKNSRRND-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Aspergillus nanangensis (ncbitaxon:2582783) - PubMed (32182055)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Nanangelenin A (CHEBI:220811) is a N-acyl-amino acid (CHEBI:51569)