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CHEBI:214281 - Aspochalasin A2

ChEBI IDCHEBI:214281
ChEBI NameAspochalasin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO5
Net Charge0
Average Mass417.546
Monoisotopic Mass417.25152
SMILESCC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23OC(=O)CCC(=O)C[C@H](O)C1
InChIInChI=1S/C24H35NO5/c1-13(2)8-20-22-16(5)15(4)11-17-9-14(3)10-19(27)12-18(26)6-7-21(28)30-24(17,22)23(29)25-20/h9,11,13,16-17,19-20,22,27H,6-8,10,12H2,1-5H3,(H,25,29)/t16-,17+,19-,20+,22+,24-/m1/s1
InChIKeyZCRSIYPTIWWTMX-YWSUGZGFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30241299)
ChEBI Ontology
Outgoing Relation(s)
Aspochalasin A2 (CHEBI:214281) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,8R,12S,15S,16S,17S)-8-hydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-10,13-diene-3,6,19-trione