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CHEBI:224198 - Chaetomugilin E

ChEBI IDCHEBI:224198
ChEBI NameChaetomugilin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29ClO6
Net Charge0
Average Mass448.943
Monoisotopic Mass448.16527
SMILESCC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@]4(OC)[C@H](C)[C@@H](C)OC(=O)[C@@H]4[C@H]3C2=CO1
InChIInChI=1S/C24H29ClO6/c1-7-12(2)8-9-15-10-16-17(11-29-15)18-19-22(27)30-14(4)13(3)24(19,28-6)31-23(18,5)21(26)20(16)25/h8-14,18-19H,7H2,1-6H3/b9-8+/t12-,13+,14+,18+,19-,23-,24+/m0/s1
InChIKeyXGXRGYADYVZCTF-OPLDBLFRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (19168975)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin E (CHEBI:224198) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,10S,12R,13R,14R,17R)-8-chloro-12-methoxy-10,13,14-trimethyl-5-[(E,3S)-3-methylpent-1-enyl]-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione
Manual XrefsDatabases
27023870ChemSpider