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CHEBI:209937 - Aspochalasinol B

ChEBI IDCHEBI:209937
ChEBI NameAspochalasinol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO5
Net Charge0
Average Mass417.546
Monoisotopic Mass417.25152
SMILESC/C1=C\[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)CC[C@@H](O)C(=O)CC1
InChIInChI=1S/C24H35NO5/c1-13(2)9-18-22-15(4)16(12-26)11-17-10-14(3)5-6-19(27)20(28)7-8-21(29)24(17,22)23(30)25-18/h10-11,13,15,17-18,20,22,26,28H,5-9,12H2,1-4H3,(H,25,30)/b14-10+/t15-,17+,18+,20-,22+,24-/m1/s1
InChIKeyWXSOPQHIBDVTDR-IFDOGFRNSA-N
ChEBI Ontology
Outgoing Relation(s)
Aspochalasinol B (CHEBI:209937) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5R,9E,11S,14S,15R,16S)-5-hydroxy-13-(hydroxymethyl)-9,14-dimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,6,18-trione
Manual XrefsDatabases
78439107ChemSpider