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CHEBI:219939 - Aspochalasin E

ChEBI IDCHEBI:219939
ChEBI NameAspochalasin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H37NO5
Net Charge0
Average Mass419.562
Monoisotopic Mass419.26717
SMILESCC1=CC2/C=C(\C)CCC(O)C(O)C(O)CC(=O)C23C(=O)NC(CC(C)C)C3C1C
InChIInChI=1S/C24H37NO5/c1-12(2)8-17-21-15(5)14(4)10-16-9-13(3)6-7-18(26)22(29)19(27)11-20(28)24(16,21)23(30)25-17/h9-10,12,15-19,21-22,26-27,29H,6-8,11H2,1-5H3,(H,25,30)/b13-9+
InChIKeyPLGNVFSTPJUFKJ-UKTHLTGXSA-N
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 E (CHEBI:219939) has role fungal metabolite (CHEBI:76946)
Aspochalasin E (CHEBI:219939) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(9E)-4,5,6-trihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione
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8107529ChemSpider