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CHEBI:225946 - Amiaspochalasin A

ChEBI IDCHEBI:225946
ChEBI NameAmiaspochalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35NO4
Net Charge0
Average Mass401.547
Monoisotopic Mass401.25661
SMILESCC1=C[C@@H]2C=CC[C@H](C)[C@@H](O)C=CCC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H35NO4/c1-14(2)12-19-22-17(5)16(4)13-18-9-6-8-15(3)20(26)10-7-11-21(27)29-24(18,22)23(28)25-19/h6-7,9-10,13-15,17-20,22,26H,8,11-12H2,1-5H3,(H,25,28)/t15-,17+,18-,19-,20-,22-,24+/m0/s1
InChIKeyGJGYPEJFZWTPPJ-ZJTXNXRFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (30997804)
ChEBI Ontology
Outgoing Relation(s)
Amiaspochalasin A (CHEBI:225946) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,7R,8S,12S,15S,16S,17S)-7-hydroxy-8,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,13-triene-3,19-dione