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CHEBI:216979 - Phomopsisin C

ChEBI IDCHEBI:216979
ChEBI NamePhomopsisin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO4
Net Charge0
Average Mass375.509
Monoisotopic Mass375.24096
SMILESCC(C)C[C@@H]1NC(=O)[C@@]23C(=O)C[C@@H](O)CCC[C@H](O)C=C[C@H]2C=C[C@@H](C)[C@@H]13
InChIInChI=1S/C22H33NO4/c1-13(2)11-18-20-14(3)7-8-15-9-10-16(24)5-4-6-17(25)12-19(26)22(15,20)21(27)23-18/h7-10,13-18,20,24-25H,4-6,11-12H2,1-3H3,(H,23,27)/t14-,15-,16+,17+,18+,20+,22-/m1/s1
InChIKeyXBCWIGDRZOIINM-ODCGGSMJSA-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 C (CHEBI:216979) has role fungal metabolite (CHEBI:76946)
Phomopsisin C (CHEBI:216979) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,4S,8S,11R,14R,15R,16S)-4,8-dihydroxy-14-methyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,18-dione