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CHEBI:228041 - 16-hydroxymethylaspergillin PZ

ChEBI IDCHEBI:228041
ChEBI Name16-hydroxymethylaspergillin PZ
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO4
Net Charge0
Average Mass415.574
Monoisotopic Mass415.27226
SMILESCC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@@H](CC(C)C)[C@@H]4[C@@H]1C)[C@H]1C[C@@H](CO)C[C@]3(C)O1
InChIInChI=1S/C25H37NO4/c1-12(2)6-18-21-14(4)13(3)7-17-22-16(9-20(28)25(17,21)23(29)26-18)19-8-15(11-27)10-24(22,5)30-19/h7,12,14-19,21-22,27H,6,8-11H2,1-5H3,(H,26,29)/t14-,15-,16-,17-,18+,19-,21+,22+,24+,25-/m1/s1
InChIKeyFNAWUKKMCPWLMR-UHRWYVDDSA-N
Species of MetaboliteComponentSourceComments
Westerdykella dispersa (ncbitaxon:45154) - DOI (10.1016/j.phytol.2019.05.002)
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)
16-hydroxymethylaspergillin PZ (CHEBI:228041) has role fungal metabolite (CHEBI:76946)
16-hydroxymethylaspergillin PZ (CHEBI:228041) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1S,2R,3R,6S,7R,8S,11S,14S,15R,17R)-17-(hydroxymethyl)-1,5,6-trimethyl-8-(2-methylpropyl)-19-oxa-9-azapentacyclo[13.3.1.02,14.03,11.07,11]nonadec-4-ene-10,12-dione
Manual XrefsDatabases
78317890ChemSpider