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CHEBI:215497 - 6-hydroxyacetylaszonalenin

ChEBI IDCHEBI:215497
ChEBI Name6-hydroxyacetylaszonalenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H25N3O4
Net Charge0
Average Mass431.492
Monoisotopic Mass431.18451
SMILESC=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C(C)=O)c1ccc(O)cc12
InChIInChI=1S/C25H25N3O4/c1-5-24(3,4)25-13-20-21(31)26-18-9-7-6-8-16(18)22(32)28(20)23(25)27(14(2)29)19-11-10-15(30)12-17(19)25/h5-12,20,23,30H,1,13H2,2-4H3,(H,26,31)/t20-,23-,25+/m1/s1
InChIKeyWTUQYANKDRJPGU-XRODADMRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fischeri (ncbitaxon:36630) - PubMed (32315839)
ChEBI Ontology
Outgoing Relation(s)
6-hydroxyacetylaszonalenin (CHEBI:215497) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(2S,10S,12R)-3-acetyl-7-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-13,21-dione