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CHEBI:225749 - Ardeemin

ChEBI IDCHEBI:225749
ChEBI NameArdeemin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26N4O2
Net Charge0
Average Mass426.520
Monoisotopic Mass426.20558
SMILESC=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1Nc1ccccc12
InChIInChI=1S/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24+,26-/m1/s1
InChIKeyDNOJISVGBFLJOQ-BXVKCURFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (8478256)
ChEBI Ontology
Outgoing Relation(s)
Ardeemin (CHEBI:225749) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1S,12R,15S,23R)-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
Manual XrefsDatabases
8223681ChemSpider