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CHEBI:204788 - 5-N-acetylardeemin

ChEBI IDCHEBI:204788
ChEBI Name5-N-acetylardeemin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O3
Net Charge0
Average Mass468.557
Monoisotopic Mass468.21614
SMILESC=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26+,28-/m1/s1
InChIKeyXTLQWSBGQKPGCF-YWDSKPHESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24443428)
ChEBI Ontology
Outgoing Relation(s)
5-N-acetylardeemin (CHEBI:204788) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,12R,15R,23R)-16-acetyl-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
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112978ChemSpider