EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203436 - 5-N-acetyl-15b-didehydroardeemin

ChEBI IDCHEBI:203436
ChEBI Name5-N-acetyl-15b-didehydroardeemin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26N4O3
Net Charge0
Average Mass466.541
Monoisotopic Mass466.20049
SMILESC=CC(C)(C)[C@@]12C=C3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12
InChIInChI=1S/C28H26N4O3/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/h6-16,26H,1H2,2-5H3/t16-,26+,28-/m1/s1
InChIKeyBYWOVWYAIMFWSY-HNWNSCGYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24443428)
ChEBI Ontology
Outgoing Relation(s)
5-N-acetyl-15b-didehydroardeemin (CHEBI:203436) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(12R,15S,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-1(24),2,4,6,8,17,19,21-octaene-10,13-dione
Manual XrefsDatabases
78440946ChemSpider