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CHEBI:218848 - Cytochalasin J3

ChEBI IDCHEBI:218848
ChEBI NameCytochalasin J3
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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]2[C@H]4[C@@H](C[C@H](C)C=C(C)[C@@H]4C[C@H]3O)O[C@H]12
InChIInChI=1S/C28H35NO3/c1-14-10-15(2)19-13-22(30)28-24(20(29-27(28)31)12-18-8-6-5-7-9-18)16(3)17(4)26-25(28)23(19)21(11-14)32-26/h5-10,14,16,19-26,30H,4,11-13H2,1-3H3,(H,29,31)/t14-,16-,19+,20+,21-,22-,23-,24+,25+,26-,28-/m1/s1
InChIKeyWSPVFJOMQYINNH-BNBLUJNUSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (28831797)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin J3 (CHEBI:218848) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,3S,4R,5S,8R,9R,11R,14S,16R,17S,18R)-5-benzyl-9-hydroxy-3,12,14-trimethyl-2-methylidene-19-oxa-6-azapentacyclo[14.2.1.04,8.08,18.011,17]nonadec-12-en-7-one
Manual XrefsDatabases
78440621ChemSpider