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CHEBI:224668 - Cyschalasin B

ChEBI IDCHEBI:224668
ChEBI NameCyschalasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H41NO7S
Net Charge0
Average Mass535.703
Monoisotopic Mass535.26037
SMILESCOC(=O)[C@H](O)CS[C@@H]1CC(=O)[C@H](O)CC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C1=O
InChIInChI=1S/C28H41NO7S/c1-14(2)9-19-24-17(5)16(4)11-18-10-15(3)7-8-20(30)21(31)12-23(37-13-22(32)26(34)36-6)25(33)28(18,24)27(35)29-19/h10-11,14,17-20,22-24,30,32H,7-9,12-13H2,1-6H3,(H,29,35)/b15-10+/t17-,18+,19+,20-,22-,23-,24+,28+/m1/s1
InChIKeySGLVXEWYFDWOQB-NNTLABGTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (31419139)
ChEBI Ontology
Outgoing Relation(s)
Cyschalasin B (CHEBI:224668) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl (2S)-2-hydroxy-3-[[(1S,3R,6R,9E,11S,14S,15R,16S)-6-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-2,5,18-trioxo-17-azatricyclo[9.7.0.01,15]octadeca-9,12-dien-3-yl]sulanyl]propanoate
Manual XrefsDatabases
128443301ChemSpider