EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198965 - Chaetomugilide C

ChEBI IDCHEBI:198965
ChEBI NameChaetomugilide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30ClNO6
Net Charge0
Average Mass475.969
Monoisotopic Mass475.17617
SMILESCC[C@H](C)C=CC1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CN1CCO
InChIInChI=1S/C25H30ClNO6/c1-6-13(2)7-8-16-11-17-18(12-27(16)9-10-28)20-19(22(30)14(3)15(4)29)24(32)33-25(20,5)23(31)21(17)26/h7-8,11-15,28-29H,6,9-10H2,1-5H3/t13-,14+,15+,25-/m0/s1
InChIKeyCZNRWTXPKFAZAT-MCMJPZDASA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (23562244)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilide C (CHEBI:198965) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6aS)-5-chloro-2-(2-hydroxyethyl)-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
Manual XrefsDatabases
78440760ChemSpider