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CHEBI:219830 - Chaetoglobosin K

ChEBI IDCHEBI:219830
ChEBI NameChaetoglobosin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40N2O5
Net Charge0
Average Mass556.703
Monoisotopic Mass556.29372
SMILESCC[C@H]1[C@H]2[C@H]([C@@H](C)c3cnc4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C
InChIInChI=1S/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16-/t18-,20-,23-,24-,28-,29-,30+,31-,33+,34+/m0/s1
InChIKeyRSYKJHLWNMXRKZ-RVUXUPINSA-N
Species of MetaboliteComponentSourceComments
Diplodia (ncbitaxon:66735) - PubMed (7358926)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Chaetoglobosin K (CHEBI:219830) has role fungal metabolite (CHEBI:76946)
Chaetoglobosin K (CHEBI:219830) is a cytochalasin (CHEBI:23528)
IUPAC Name 
(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-6-hydroxy-19-[(1S)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
Manual XrefsDatabases
4944754ChemSpider