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CHEBI:204724 - Chaetomugilide B

ChEBI IDCHEBI:204724
ChEBI NameChaetomugilide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28ClNO5
Net Charge0
Average Mass457.954
Monoisotopic Mass457.16560
SMILESCC=C(C)C(=O)C1=C2C3=CN(CCO)C(C=C[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C25H28ClNO5/c1-6-14(3)8-9-16-12-17-18(13-27(16)10-11-28)20-19(22(29)15(4)7-2)24(31)32-25(20,5)23(30)21(17)26/h7-9,12-14,28H,6,10-11H2,1-5H3/t14-,25-/m0/s1
InChIKeyZWHHMQBLGKFXFB-SXBQZSJRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (23562244)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilide B (CHEBI:204724) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6aS)-5-chloro-2-(2-hydroxyethyl)-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
Manual XrefsDatabases
78441013ChemSpider