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CHEBI:224662 - Cyschalasin A

ChEBI IDCHEBI:224662
ChEBI NameCyschalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42N2O5S
Net Charge0
Average Mass518.720
Monoisotopic Mass518.28144
SMILESCC(=O)NCCS[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/C28H42N2O5S/c1-15(2)11-21-25-18(5)17(4)13-20-12-16(3)7-8-22(32)23(33)14-24(36-10-9-29-19(6)31)26(34)28(20,25)27(35)30-21/h12-13,15,18,20-22,24-25,32H,7-11,14H2,1-6H3,(H,29,31)(H,30,35)/b16-12+/t18-,20+,21+,22-,24-,25+,28+/m1/s1
InChIKeyXEUIJZSFKASMIJ-HBBZWIBTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (31419139)
ChEBI Ontology
Outgoing Relation(s)
Cyschalasin A (CHEBI:224662) is a isoindoles (CHEBI:24897)
IUPAC Name 
N-[2-[[(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]ethyl]acetamide