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CHEBI:186013 - Cytochalasin Opho

ChEBI IDCHEBI:186013
ChEBI NameCytochalasin Opho
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO4
Net Charge0
Average Mass451.607
Monoisotopic Mass451.27226
SMILESCC1=C(C)C2C(Cc3ccccc3)NC(=O)C23C(O)/C=C/C(C)(O)CC(C)C/C=C/C3C1O
InChIInChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-25,30-31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+
InChIKeyUMHVFKLUODBPSC-KRQHZRJMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin Opho (CHEBI:186013) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
(3E,9E)-16-benzyl-2,5,12-trihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-18-one
Manual XrefsDatabases
4946904ChemSpider
Registry NumbersSources
CAS:108050-26-6ChemIDplus