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CHEBI:228039 - 16alpha-methylaspochalasin J

ChEBI IDCHEBI:228039
ChEBI Name16alpha-methylaspochalasin J
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@@]23OC(=O)C=C[C@@H](O)C[C@@H](C)C1
InChIInChI=1S/C25H37NO4/c1-14(2)9-21-23-18(6)17(5)13-19-11-15(3)10-16(4)12-20(27)7-8-22(28)30-25(19,23)24(29)26-21/h7-8,11,13-14,16,18-21,23,27H,9-10,12H2,1-6H3,(H,26,29)/t16-,18+,19-,20+,21-,23-,25+/m0/s1
InChIKeyORYHRHGVSOQILB-BAFAARCQSA-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)
16alpha-methylaspochalasin J (CHEBI:228039) has role fungal metabolite (CHEBI:76946)
16alpha-methylaspochalasin J (CHEBI:228039) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,6S,8S,12S,15S,16S,17S)-6-hydroxy-8,10,14,15-tetramethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione