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CHEBI:222090 - Aspochalasin M

ChEBI IDCHEBI:222090
ChEBI NameAspochalasin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO4
Net Charge0
Average Mass401.547
Monoisotopic Mass401.25661
SMILESCC1=C[C@@H]2/C=C(/C)CCC(=O)[C@@H](O)CCC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h11-13,16-18,20,22,27H,6-10H2,1-5H3,(H,25,29)/b14-11-/t16-,17+,18+,20+,22+,24-/m1/s1
InChIKeyGBCXTRJHTIEBIA-DNJNAQMOSA-N
Species of MetaboliteComponentSourceComments
Mariannaea elegans (ncbitaxon:509241) - DOI (10.1002/ejoc.200801085)
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin M (CHEBI:222090) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5S,9Z,11S,14S,15R,16S)-5-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,6,18-trione
Manual XrefsDatabases
78438233ChemSpider