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CHEBI:200340 - Aspochalasin J

ChEBI IDCHEBI:200340
ChEBI NameAspochalasin J
Stars
Last Modified30 October 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO4
Net Charge0
Average Mass401.547
Monoisotopic Mass401.25661
SMILESCC1=C[C@@H]2/C=C(\C)CCC[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO4/c1-14(2)11-20-22-17(5)16(4)13-18-12-15(3)7-6-8-19(26)9-10-21(27)29-24(18,22)23(28)25-20/h9-10,12-14,17-20,22,26H,6-8,11H2,1-5H3,(H,25,28)/b10-9+,15-12+/t17-,18+,19+,20+,22+,24-/m1/s1
InChIKeyHXVGXVHKKDWYHZ-CEEOZWHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavipes (ncbitaxon:41900) - PubMed (15043404)
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 J (CHEBI:200340) has role fungal metabolite (CHEBI:76946)
Aspochalasin J (CHEBI:200340) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,4E,6S,10E,12S,15S,16S,17S)-6-hydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione
Manual XrefsDatabases
10186296ChemSpider