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CHEBI:199522 - Aspochalasin N

ChEBI IDCHEBI:199522
ChEBI NameAspochalasin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO4
Net Charge0
Average Mass441.612
Monoisotopic Mass441.28791
SMILESCC(=O)C[C@@H]1CC(=O)CCC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C1=O
InChIInChI=1S/C27H39NO4/c1-15(2)10-23-24-19(6)17(4)12-21-11-16(3)8-7-9-22(30)14-20(13-18(5)29)25(31)27(21,24)26(32)28-23/h11-12,15,19-21,23-24H,7-10,13-14H2,1-6H3,(H,28,32)/b16-11+/t19-,20-,21+,23+,24+,27+/m1/s1
InChIKeyFHPZVDQGQMHWTQ-GCHLCXQHSA-N
Species of MetaboliteComponentSourceComments
Mariannaea elegans (ncbitaxon:509241) - DOI (10.1002/ejoc.200801085)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin N (CHEBI:199522) has role fungal metabolite (CHEBI:76946)
Aspochalasin N (CHEBI:199522) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,3R,9E,11S,14S,15R,16S)-9,13,14-trimethyl-16-(2-methylpropyl)-3-(2-oxopropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
Manual XrefsDatabases
27024267ChemSpider