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CHEBI:198119 - Chaetomugilin B

ChEBI IDCHEBI:198119
ChEBI NameChaetomugilin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H29ClO7
Net Charge0
Average Mass464.942
Monoisotopic Mass464.16018
SMILESCO[C@]12O[C@]3(C)C(=O)C(Cl)=C4C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C4[C@@H]3[C@H]1C(=O)O[C@H](C)[C@H]2C
InChIInChI=1S/C24H29ClO7/c1-11(13(3)26)7-8-15-9-16-17(10-30-15)18-19-22(28)31-14(4)12(2)24(19,29-6)32-23(18,5)21(27)20(16)25/h7-14,18-19,26H,1-6H3/b8-7+/t11-,12-,13-,14-,18-,19+,23+,24-/m1/s1
InChIKeyXULBVHWQPPYAAY-NCCWVHROSA-N
Species of MetaboliteComponentSourceComments
Chaetomiumspecies (ncbitaxon:1769349) - DOI (10.1016/j.tetlet.2008.04.060)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin B (CHEBI:198119) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,10S,12R,13R,14R,17R)-8-chloro-5-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-12-methoxy-10,13,14-trimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione
Manual XrefsDatabases
27023801ChemSpider