EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198524 - Cytochalasin Z9

ChEBI IDCHEBI:198524
ChEBI NameCytochalasin Z9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO5
Net Charge0
Average Mass465.590
Monoisotopic Mass465.25152
SMILESCC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C28H35NO5/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)34-23(30)13-14-27(4,33)16-17/h5-8,10-14,17,21-22,24-25,31,33H,9,15-16H2,1-4H3,(H,29,32)/b12-8+,14-13+/t17-,21-,22-,24-,25+,27+,28+/m0/s1
InChIKeyFMVOQLPSYHHBLW-GTCNGBCISA-N
Species of MetaboliteComponentSourceComments
Mariannaea elegans (ncbitaxon:509241) - PubMed (16792402)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin Z9 (CHEBI:198524) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,4E,6S,8S,10E,12S,13S,16S,17S)-17-benzyl-6,13-dihydroxy-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,14-triene-3,19-dione
Manual XrefsDatabases
9823124ChemSpider