EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211254 - 7-O-acetyl-19,20-epoxycytochalasin C

ChEBI IDCHEBI:211254
ChEBI Name7-O-acetyl-19,20-epoxycytochalasin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO8
Net Charge0
Average Mass565.663
Monoisotopic Mass565.26757
SMILESCC(=O)O[C@@H]1C(C)=C(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]13
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/h7-10,12-14,16,22-26,28-29,38H,11,15H2,1-6H3,(H,33,37)/b14-10+/t16-,22-,23-,24-,25+,26+,28-,29+,31-,32-/m0/s1
InChIKeySYQABGFBCTXKFW-ZZDJLDDHSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31271786)
ChEBI Ontology
Outgoing Relation(s)
7-O-acetyl-19,20-epoxycytochalasin C (CHEBI:211254) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3S,5S,6R,8S,10E,12R,13S,16R,17S)-2-acetyloxy-17-benzyl-6-hydroxy-6,8,14,15-tetramethyl-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadeca-10,14-dien-13-yl] acetate