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CHEBI:208241 - Aspochalasin T

ChEBI IDCHEBI:208241
ChEBI NameAspochalasin T
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO5
Net Charge0
Average Mass417.546
Monoisotopic Mass417.25152
SMILESCC1=C[C@@H]2/C=C(/C)CCC(O)C(=O)C(O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO5/c1-12(2)8-17-21-15(5)14(4)10-16-9-13(3)6-7-18(26)22(29)19(27)11-20(28)24(16,21)23(30)25-17/h9-10,12,15-19,21,26-27H,6-8,11H2,1-5H3,(H,25,30)/b13-9-/t15-,16+,17+,18?,19?,21+,24-/m1/s1
InChIKeyKBJKWXDTUOJWAI-ZBPBRBPHSA-N
Species of MetaboliteComponentSourceComments
Mariannaea elegans (ncbitaxon:509241) - DOI (10.1016/j.cclet.2010.02.019)
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin T (CHEBI:208241) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,9Z,11S,14S,15R,16S)-4,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
Manual XrefsDatabases
78439769ChemSpider