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CHEBI:225154 - Seco-Chaetomugilin D

ChEBI IDCHEBI:225154
ChEBI NameSeco-Chaetomugilin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31ClO7
Net Charge0
Average Mass466.958
Monoisotopic Mass466.17583
SMILESCC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)O[C@](O)([C@H](C)[C@@H](C)O)[C@H](C(=O)OC)[C@H]3C2=CO1
InChIInChI=1S/C24H31ClO7/c1-7-12(2)8-9-15-10-16-17(11-31-15)18-19(22(28)30-6)24(29,13(3)14(4)26)32-23(18,5)21(27)20(16)25/h8-14,18-19,26,29H,7H2,1-6H3/b9-8+/t12-,13+,14+,18+,19-,23-,24+/m0/s1
InChIKeyYNPCOGQBGAEJQN-OPLDBLFRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (19597583)
ChEBI Ontology
Outgoing Relation(s)
Seco-Chaetomugilin D (CHEBI:225154) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
methyl (6aS,8R,9R,9aS)-5-chloro-8-hydroxy-8-[(2R,3R)-3-hydroxybutan-2-yl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-6-oxo-9,9a-dihydrouro[2,3-h]isochromene-9-carboxylate
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27024736ChemSpider