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CHEBI:202479 - Chaetomugilin S

ChEBI IDCHEBI:202479
ChEBI NameChaetomugilin S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO5
Net Charge0
Average Mass420.933
Monoisotopic Mass420.17035
SMILESCC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)[C@H]([C@H](O)[C@@H](C)CC)[C@H]3C2=CO1
InChIInChI=1S/C23H29ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h8-13,17-18,20,25H,6-7H2,1-5H3/b9-8+/t12-,13-,17-,18+,20+,23+/m0/s1
InChIKeyGMHISLNOVNIJFP-SZNLKTOTSA-N
Species of MetaboliteComponentSourceComments
Chaetomium elatum (ncbitaxon:5150) - PubMed (22890540)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin S (CHEBI:202479) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9S,9aS)-5-chloro-9-[(1R,2S)-1-hydroxy-2-methylbutyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
78440890ChemSpider