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CHEBI:197587 - Aspochalasin O

ChEBI IDCHEBI:197587
ChEBI NameAspochalasin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO5
Net Charge0
Average Mass457.611
Monoisotopic Mass457.28282
SMILESCC(=O)C[C@@H]1CC(=O)[C@H](O)CC/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/C27H39NO5/c1-14(2)9-21-24-18(6)16(4)11-20-10-15(3)7-8-22(30)23(31)13-19(12-17(5)29)25(32)27(20,24)26(33)28-21/h10-11,14,18-22,24,30H,7-9,12-13H2,1-6H3,(H,28,33)/b15-10+/t18-,19-,20+,21+,22-,24+,27+/m1/s1
InChIKeyJUCPANRNKTTWAB-GEPXZTCASA-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 O (CHEBI:197587) has role fungal metabolite (CHEBI:76946)
Aspochalasin O (CHEBI:197587) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,3R,6R,9E,11S,14S,15R,16S)-6-hydroxy-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
27024268ChemSpider