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CHEBI:201378 - Cytochalasin J

ChEBI IDCHEBI:201378
ChEBI NameCytochalasin J
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FormulaC28H37NO4
Net Charge0
Average Mass451.607
Monoisotopic Mass451.27226
SMILESC=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(O)C=CC(C)(O)CC(C)CC=CC3C1O
InChIInChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-14,17-18,21-25,30-31,33H,3,9,15-16H2,1-2,4H3,(H,29,32)
InChIKeyUKQNIEMKORIOQM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin J (CHEBI:201378) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2R,3E,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
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23942015ChemSpider