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CHEBI:205977 - Chaetomugilin N

ChEBI IDCHEBI:205977
ChEBI NameChaetomugilin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25ClO6
Net Charge0
Average Mass432.900
Monoisotopic Mass432.13397
SMILESC/C=C(\C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C(Cl)=C3C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C3[C@H]12
InChIInChI=1S/C23H25ClO6/c1-6-11(2)20(26)17-18-16-10-29-14(8-7-12(3)13(4)25)9-15(16)19(24)21(27)23(18,5)30-22(17)28/h6-10,12-13,17-18,25H,1-5H3/b8-7+,11-6+/t12-,13-,17-,18-,23+/m1/s1
InChIKeyMGBUHXLTCIVHLN-MHSGSDPZSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - DOI (10.1016/j.tet.2009.06.125)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin N (CHEBI:205977) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aS,9R,9aS)-5-chloro-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
27024232ChemSpider