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CHEBI:203139 - Chaetomugilin H

ChEBI IDCHEBI:203139
ChEBI NameChaetomugilin H
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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)OC([C@H](C)[C@@H](C)O)=C(C(=O)OC)C3C2=CO1
InChIInChI=1S/C24H29ClO6/c1-7-12(2)8-9-15-10-16-17(11-30-15)19-18(23(28)29-6)21(13(3)14(4)26)31-24(19,5)22(27)20(16)25/h8-14,19,26H,7H2,1-6H3/b9-8+/t12-,13+,14+,19?,24-/m0/s1
InChIKeyXINDMVOXUMLKKE-VOSVUOCVSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (19461670)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin H (CHEBI:203139) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
methyl (6aS)-5-chloro-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9aH-uro[2,3-h]isochromene-9-carboxylate
Manual XrefsDatabases
78436962ChemSpider