EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226187 - Cytochalasin C1

ChEBI IDCHEBI:226187
ChEBI NameCytochalasin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO9
Net Charge0
Average Mass557.640
Monoisotopic Mass557.26248
SMILESCC(=O)O[C@@H]1[C@H]2O[C@@H]([C@H]3[C@H](O)C(C)=C(C)[C@H]4[C@H](Cc5ccccc5)NC(=O)[C@]314)[C@H](O)C[C@H](C)C(=O)[C@](C)(O)[C@@H]2O
InChIInChI=1S/C30H39NO9/c1-13-11-19(33)23-21-22(34)15(3)14(2)20-18(12-17-9-7-6-8-10-17)31-28(37)30(20,21)27(39-16(4)32)24(40-23)26(36)29(5,38)25(13)35/h6-10,13,18-24,26-27,33-34,36,38H,11-12H2,1-5H3,(H,31,37)/t13-,18-,19+,20-,21+,22+,23+,24-,26+,27+,29-,30+/m0/s1
InChIKeyGPBFGYSBPRDYJV-DYIHLKKWSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1016/j.tetlet.2019.150952)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin C1 (CHEBI:226187) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1S,2R,3S,6R,7S,10R,11S,12S,13R,14R,16S,18R)-7-benzyl-3,13,14,18-tetrahydroxy-4,5,14,16-tetramethyl-9,15-dioxo-19-oxa-8-azatetracyclo[10.6.1.02,10.06,10]nonadec-4-en-11-yl] acetate