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CHEBI:215955 - Phomacin E

ChEBI IDCHEBI:215955
ChEBI NamePhomacin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35NO5
Net Charge0
Average Mass429.557
Monoisotopic Mass429.25152
SMILESCC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)CC(=O)C(=O)C[C@@H](CO)C1
InChIInChI=1S/C25H35NO5/c1-13(2)6-19-23-16(5)15(4)9-18-8-14(3)7-17(12-27)10-20(28)21(29)11-22(30)25(18,23)24(31)26-19/h8-9,13,16-19,23,27H,6-7,10-12H2,1-5H3,(H,26,31)/t16-,17+,18+,19+,23+,25-/m1/s1
InChIKeyUEQMQQKCTPJFDD-LTNGKSFESA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum SN15 (ncbitaxon:321614) - PubMed (31815421)
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)
Phomacin E (CHEBI:215955) has role fungal metabolite (CHEBI:76946)
Phomacin E (CHEBI:215955) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,7S,11S,14S,15R,16S)-7-(hydroxymethyl)-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,4,5,18-tetrone