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CHEBI:68794 - neoechinulin A

Default Structure
ChEBI IDCHEBI:68794
ChEBI Nameneoechinulin A
Stars
DefinitionA natural product found in Chaetomium globosum.( Compound class : diketopiperazine)
DownloadsMolfile
FormulaC19H29N3O2
Net Charge0
Average Mass331.460
Monoisotopic Mass331.22598
SMILES[H]C([H])=C([H])C(C1C(/C([H])=C2/C(=O)N([H])[C@@]([H])(C([H])([H])[H])C(=O)N2[H])C2C([H])C([H])C([H])C([H])C2N1[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C19H29N3O2/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/h5,10-14,16,21H,1,6-9H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-,12?,13?,14?,16?/m0/s1
InChIKeyAGVYWRUDLRMFCM-HKIQANBOSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (17125234)
ChEBI Ontology
Outgoing Relation(s)
neoechinulin A (CHEBI:68794) has role metabolite (CHEBI:25212)
neoechinulin A (CHEBI:68794) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
8171886ChemSpider
Citations