CHEBI:219939 - Aspochalasin E

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ChEBI Name Aspochalasin E
ChEBI ID CHEBI:219939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H37NO5
Net Charge 0
Average Mass 419.562
Monoisotopic Mass 419.26717
InChI InChI=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+
InChIKey PLGNVFSTPJUFKJ-UKTHLTGXSA-N
SMILES O=C1C23C(=O)NC(C2C(C)C(=CC3C=C(CCC(C(C(C1)O)O)O)C)C)CC(C)C
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
8107529 ChemSpider
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