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CHEBI:218843 - Cytochalasin J2

ChEBI IDCHEBI:218843
ChEBI NameCytochalasin J2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO3
Net Charge0
Average Mass433.592
Monoisotopic Mass433.26169
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C28H35NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-15,17,19,22-26,30-31H,4,9,16H2,1-3H3,(H,29,32)/b12-8+,14-13+,18-15-/t17-,19+,22-,23-,24+,25-,26+,28+/m0/s1
InChIKeyCZABEFNJKKLRKT-ZCTQIHNESA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (28831797)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin J2 (CHEBI:218843) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2R,3E,5Z,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-2,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,5,9-trien-18-one
Manual XrefsDatabases
78440620ChemSpider