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CHEBI:211269 - 18-deoxy-21-oxo-deacetyl-19,20-epoxycytochalasin N

ChEBI IDCHEBI:211269
ChEBI Name18-deoxy-21-oxo-deacetyl-19,20-epoxycytochalasin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO6
Net Charge0
Average Mass481.589
Monoisotopic Mass481.24644
SMILESC[C@@H]1[C@H](O)[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@]3(C)O[C@]3(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23C(=O)[C@@H]2O[C@@H]12
InChIInChI=1S/C28H35NO6/c1-14-9-8-12-17-23(31)27(4)26(3,35-27)22-18(13-16-10-6-5-7-11-16)29-25(33)28(17,22)24(32)21-20(34-21)15(2)19(14)30/h5-8,10-12,14-15,17-23,30-31H,9,13H2,1-4H3,(H,29,33)/b12-8+/t14-,15+,17-,18-,19+,20-,21+,22+,23-,26+,27-,28-/m0/s1
InChIKeyOTCGMUXCJDAGIF-QLYHLFCPSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31271786)
ChEBI Ontology
Outgoing Relation(s)
18-deoxy-21-oxo-deacetyl-19,20-epoxycytochalasin N (CHEBI:211269) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,3R,5S,6R,7R,8S,10E,12R,13S,14S,16R,17R,18S)-18-benzyl-7,13-dihydroxy-6,8,14,16-tetramethyl-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-ene-2,20-dione