CHEBI:214281 - Aspochalasin A2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aspochalasin A2
ChEBI ID CHEBI:214281
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H35NO5
Net Charge 0
Average Mass 417.546
Monoisotopic Mass 417.25152
InChI InChI=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
InChIKey ZCRSIYPTIWWTMX-YWSUGZGFSA-N
SMILES O=C1O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C[C@H](CC(CC1)=O)O)C)C)CC(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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