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CHEBI:202949 - Chaetomugilin J

ChEBI IDCHEBI:202949
ChEBI NameChaetomugilin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27ClO4
Net Charge0
Average Mass390.907
Monoisotopic Mass390.15979
SMILESC/C=C(\C)C(=O)C[C@H]1C2=COC(/C=C/[C@@H](C)CC)=CC2=C(Cl)C(=O)[C@@]1(C)O
InChIInChI=1S/C22H27ClO4/c1-6-13(3)8-9-15-10-16-17(12-27-15)18(11-19(24)14(4)7-2)22(5,26)21(25)20(16)23/h7-10,12-13,18,26H,6,11H2,1-5H3/b9-8+,14-7+/t13-,18-,22-/m0/s1
InChIKeyDIBDMIBWFDRKHK-ODXBHRCKSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - DOI (10.1016/j.tet.2009.06.125)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin J (CHEBI:202949) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7S,8S)-5-chloro-7-hydroxy-7-methyl-8-[(E)-3-methyl-2-oxopent-3-enyl]-3-[(E,3S)-3-methylpent-1-enyl]-8H-isochromen-6-one
Manual XrefsDatabases
27024228ChemSpider