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CHEBI:216777 - Deacetyl-19,20-epoxy-cytochalasin C

ChEBI IDCHEBI:216777
ChEBI NameDeacetyl-19,20-epoxy-cytochalasin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO6
Net Charge0
Average Mass481.589
Monoisotopic Mass481.24644
SMILESCC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)[C@@H]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C28H35NO6/c1-14-9-8-12-18-21(30)16(3)15(2)20-19(13-17-10-6-5-7-11-17)29-26(33)28(18,20)24(32)22-25(35-22)27(4,34)23(14)31/h5-8,10-12,14,18-22,24-25,30,32,34H,9,13H2,1-4H3,(H,29,33)/b12-8+/t14-,18-,19-,20+,21+,22-,24+,25+,27-,28-/m0/s1
InChIKeyPJQNNAWRTWTXKU-MNUVKCIJSA-N
Species of MetaboliteComponentSourceComments
Xylaria obovata (ncbitaxon:498170) - DOI (10.1016/s0031-9422(96)00780-7)
ChEBI Ontology
Outgoing Relation(s)
Deacetyl-19,20-epoxy-cytochalasin C (CHEBI:216777) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2S,3S,5R,6R,8S,10E,12R,13S,16S,17S)-17-benzyl-2,6,13-trihydroxy-6,8,14,15-tetramethyl-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadeca-10,14-diene-7,19-dione
Manual XrefsDatabases
78438125ChemSpider