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CHEBI:209102 - Phenochalasin A

ChEBI IDCHEBI:209102
ChEBI NamePhenochalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO7
Net Charge0
Average Mass495.572
Monoisotopic Mass495.22570
SMILESCC1=CC2/C=C/CC(C)C(=O)C(C)(O)/C=C\OC(=O)OC23C(=O)NC(Cc2ccc(O)cc2)C3C1C
InChIInChI=1S/C28H33NO7/c1-16-6-5-7-20-14-17(2)18(3)23-22(15-19-8-10-21(30)11-9-19)29-25(32)28(20,23)36-26(33)35-13-12-27(4,34)24(16)31/h5,7-14,16,18,20,22-23,30,34H,6,15H2,1-4H3,(H,29,32)/b7-5+,13-12-
InChIKeyUWGGHVBZMJIJSU-RTOCWKKDSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (10604753)
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)
Phenochalasin A (CHEBI:209102) is a cytochalasan alkaloid (CHEBI:75946)
IUPAC Name 
(5Z,11E)-7-hydroxy-18-[(4-hydroxyphenyl)methyl]-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,14-triene-3,8,20-trione
Manual XrefsDatabases
8250038ChemSpider