CHEBI:198965 - Chaetomugilide C

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ChEBI Name Chaetomugilide C
ChEBI ID CHEBI:198965
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H30ClNO6
Net Charge 0
Average Mass 475.970
Monoisotopic Mass 475.17617
InChI InChI=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
InChIKey CZNRWTXPKFAZAT-MCMJPZDASA-N
SMILES ClC1=C2C(C3=C(C(=O)[C@@H]([C@H](O)C)C)C(O[C@@]3(C1=O)C)=O)=CN(CCO)C(=C2)C=C[C@H](CC)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78440760 ChemSpider
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