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CHEBI:216972 - Phomopsisin B

ChEBI IDCHEBI:216972
ChEBI NamePhomopsisin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO4
Net Charge0
Average Mass375.509
Monoisotopic Mass375.24096
SMILESCC(C)C[C@@H]1NC(=O)[C@@]23C(=O)CCCCC[C@H](O)/C=C/[C@H]2[C@@H]2O[C@@H]2[C@@H](C)[C@@H]13
InChIInChI=1S/C22H33NO4/c1-12(2)11-16-18-13(3)19-20(27-19)15-10-9-14(24)7-5-4-6-8-17(25)22(15,18)21(26)23-16/h9-10,12-16,18-20,24H,4-8,11H2,1-3H3,(H,23,26)/b10-9+/t13-,14-,15-,16-,18-,19+,20-,22+/m0/s1
InChIKeyIBXLQFRSYVWILH-JXXHLEBQSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2020.131475)
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)
Phomopsisin B (CHEBI:216972) has role fungal metabolite (CHEBI:76946)
Phomopsisin B (CHEBI:216972) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,8S,9E,11R,12S,14R,15S,16R,17S)-8-hydroxy-15-methyl-17-(2-methylpropyl)-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadec-9-ene-2,19-dione