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CHEBI:213338 - 1-formyl-5-hydroxyaszonalenin

ChEBI IDCHEBI:213338
ChEBI Name1-formyl-5-hydroxyaszonalenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23N3O4
Net Charge0
Average Mass417.465
Monoisotopic Mass417.16886
SMILESC=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C=O)c1ccc(O)cc12
InChIInChI=1S/C24H23N3O4/c1-4-23(2,3)24-12-19-20(30)25-17-8-6-5-7-15(17)21(31)27(19)22(24)26(13-28)18-10-9-14(29)11-16(18)24/h4-11,13,19,22,29H,1,12H2,2-3H3,(H,25,30)/t19-,22-,24+/m1/s1
InChIKeyINBDIMBHBIPEPY-CKUXNOBLSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - DOI (10.1016/j.tet.2013.07.078)
ChEBI Ontology
Outgoing Relation(s)
1-formyl-5-hydroxyaszonalenin (CHEBI:213338) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(2R,10S,12R)-7-hydroxy-10-(2-methylbut-3-en-2-yl)-13,21-dioxo-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4(9),5,7,15,17,19-hexaene-3-carbaldehyde
Manual XrefsDatabases
78438033ChemSpider