EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213241 - Chaetoviridide C

ChEBI IDCHEBI:213241
ChEBI NameChaetoviridide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30ClNO6
Net Charge0
Average Mass475.969
Monoisotopic Mass475.17617
SMILESCCC(=O)C1=C2C3=CN(CCOCCO)C(C=C[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C25H30ClNO6/c1-5-15(3)7-8-16-13-17-18(14-27(16)9-11-32-12-10-28)21-20(19(29)6-2)24(31)33-25(21,4)23(30)22(17)26/h7-8,13-15,28H,5-6,9-12H2,1-4H3/t15-,25-/m0/s1
InChIKeyHEYAIBWBZDUWFW-MQNRADLISA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (29438326)
ChEBI Ontology
Outgoing Relation(s)
Chaetoviridide C (CHEBI:213241) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6aS)-5-chloro-2-[2-(2-hydroxyethoxy)ethyl]-6a-methyl-3-[(3S)-3-methylpent-1-enyl]-9-propanoyluro[2,3-h]isoquinoline-6,8-dione
Manual XrefsDatabases
78439256ChemSpider