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CHEBI:215950 - Phomacin D

ChEBI IDCHEBI:215950
ChEBI NamePhomacin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO4
Net Charge0
Average Mass415.574
Monoisotopic Mass415.27226
SMILESCC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C(=O)CCC(=O)C[C@@H](CO)C1
InChIInChI=1S/C25H37NO4/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)25(19,23)24(30)26-21/h10-11,14,17-19,21,23,27H,6-9,12-13H2,1-5H3,(H,26,30)/t17-,18+,19+,21+,23+,25-/m1/s1
InChIKeyQTVNNEMBCMYHSR-CTPPTPPUSA-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 D (CHEBI:215950) has role fungal metabolite (CHEBI:76946)
Phomacin D (CHEBI:215950) 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-2,5,18-trione