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CHEBI:211260 - 7-O-acetyl-19,20-epoxycytochalasin D

ChEBI IDCHEBI:211260
ChEBI Name7-O-acetyl-19,20-epoxycytochalasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO8
Net Charge0
Average Mass565.663
Monoisotopic Mass565.26757
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)[C@@H]2O[C@@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1OC(C)=O
InChIInChI=1S/C32H39NO8/c1-16-11-10-14-22-25(39-19(4)34)18(3)17(2)24-23(15-21-12-8-7-9-13-21)33-30(37)32(22,24)29(40-20(5)35)26-28(41-26)31(6,38)27(16)36/h7-10,12-14,16-17,22-26,28-29,38H,3,11,15H2,1-2,4-6H3,(H,33,37)/b14-10+/t16-,17+,22-,23-,24-,25+,26+,28-,29+,31-,32-/m0/s1
InChIKeyYHZFHLRLOBSXDU-YYLSPXFVSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31271786)
ChEBI Ontology
Outgoing Relation(s)
7-O-acetyl-19,20-epoxycytochalasin D (CHEBI:211260) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3S,5S,6R,8S,10E,12R,13S,15S,16R,17S)-2-acetyloxy-17-benzyl-6-hydroxy-6,8,15-trimethyl-14-methylidene-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadec-10-en-13-yl] acetate