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CHEBI:222915 - Aspochalasin S

ChEBI IDCHEBI:222915
ChEBI NameAspochalasin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO4
Net Charge0
Average Mass401.547
Monoisotopic Mass401.25661
SMILESCC1=C[C@@H]2/C=C(/C)CCCC(=O)C(O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO4/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-6-8-19(26)20(27)12-21(28)24(17,22)23(29)25-18/h10-11,13,16-18,20,22,27H,6-9,12H2,1-5H3,(H,25,29)/b14-10-/t16-,17+,18+,20?,22+,24-/m1/s1
InChIKeyUKPHXKTZKORVBO-ZFODJXHQSA-N
Species of MetaboliteComponentSourceComments
Mariannaea elegans (ncbitaxon:509241) - DOI (10.1016/j.cclet.2010.02.019)
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin S (CHEBI:222915) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,9Z,11S,14S,15R,16S)-4-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
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78439809ChemSpider