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CHEBI:224555 - Asperversiamide K

ChEBI IDCHEBI:224555
ChEBI NameAsperversiamide K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILESC=CC(C)(C)[C@@]12Nc3cc4c(cc3[C@]1(O)C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12)C=CC(C)(C)O4
InChIInChI=1S/C26H31N3O4/c1-6-23(2,3)26-25(32,14-19-21(30)28-11-7-8-18(28)22(31)29(19)26)16-12-15-9-10-24(4,5)33-20(15)13-17(16)27-26/h6,9-10,12-13,18-19,27,32H,1,7-8,11,14H2,2-5H3/t18-,19-,25+,26-/m0/s1
InChIKeyWEXJWWWGKFNWHW-CBJYTOFKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31390200)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide K (CHEBI:224555) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-8-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.04,9.014,22.016,20]tricosa-2(11),3,5,9-tetraene-15,21-dione