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CHEBI:207772 - Aspochalasin W

ChEBI IDCHEBI:207772
ChEBI NameAspochalasin W
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H37NO4S
Net Charge0
Average Mass447.641
Monoisotopic Mass447.24433
SMILESCS[C@@H]1CC(=O)CCC/C(C)=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C1=O
InChIInChI=1S/C25H37NO4S/c1-13(2)10-19-21-15(4)16(5)22(28)18-11-14(3)8-7-9-17(27)12-20(31-6)23(29)25(18,21)24(30)26-19/h11,13,18-22,28H,7-10,12H2,1-6H3,(H,26,30)/b14-11+/t18-,19-,20+,21-,22+,25-/m0/s1
InChIKeyDZPUAJGOIULLKE-JMMJSHQGSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25272329)
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin W (CHEBI:207772) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,3R,9E,11R,12S,15R,16S)-12-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-3-methylsulanyl-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,5,18-trione
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