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CHEBI:216924 - Aspochalasin R

ChEBI IDCHEBI:216924
ChEBI NameAspochalasin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO5
Net Charge0
Average Mass431.573
Monoisotopic Mass431.26717
SMILESCOC1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3/C=C(/C)CCC(O)C1=O
InChIInChI=1S/C25H37NO5/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-8-19(27)23(29)20(31-6)12-21(28)25(17,22)24(30)26-18/h10-11,13,16-20,22,27H,7-9,12H2,1-6H3,(H,26,30)/b14-10-/t16-,17+,18+,19?,20?,22+,25-/m1/s1
InChIKeyGKNWQNLEUNDXAP-FOZWZDRDSA-N
Species of MetaboliteComponentSourceComments
Mariannaea elegans (ncbitaxon:509241) - DOI (10.1016/j.cclet.2010.02.019)
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin R (CHEBI:216924) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,9Z,11S,14S,15R,16S)-6-hydroxy-4-methoxy-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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78439795ChemSpider