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CHEBI:210516 - 11-epichaetomugilin A

ChEBI IDCHEBI:210516
ChEBI Name11-epichaetomugilin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27ClO7
Net Charge0
Average Mass450.915
Monoisotopic Mass450.14453
SMILESC[C@@H]1[C@@H](C)OC(=O)[C@@H]2[C@H]3C4=COC(/C=C/[C@H](C)[C@@H](C)O)=CC4=C(Cl)C(=O)[C@@]3(C)O[C@]12O
InChIInChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-29-14)17-18-21(27)30-13(4)11(2)23(18,28)31-22(17,5)20(26)19(15)24/h6-13,17-18,25,28H,1-5H3/b7-6+/t10-,11+,12+,13+,17+,18-,22-,23+/m0/s1
InChIKeyLNHWUFUMZSBRBY-VJLWFCMXSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - DOI (10.1002/hlca.200900272)
ChEBI Ontology
Outgoing Relation(s)
11-epichaetomugilin A (CHEBI:210516) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,10S,12R,13R,14R,17R)-8-chloro-12-hydroxy-5-[(E,3S,4R)-4-hydroxy-3-methylpent-1-enyl]-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
27022421ChemSpider