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CHEBI:205840 - Canescenin B

ChEBI IDCHEBI:205840
ChEBI NameCanescenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O8
Net Charge0
Average Mass316.306
Monoisotopic Mass316.11582
SMILESCCC(C)C(=O)O[C@@H]1O[C@@](C)(C(=O)OC)C(=O)[C@@](C)(O)C1=O
InChIInChI=1S/C14H20O8/c1-6-7(2)9(16)21-10-8(15)13(3,19)11(17)14(4,22-10)12(18)20-5/h7,10,19H,6H2,1-5H3/t7?,10-,13+,14-/m1/s1
InChIKeyZMKSDIASUBQUJL-HSCQSRIDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30835537)
ChEBI Ontology
Outgoing Relation(s)
Canescenin B (CHEBI:205840) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl (2R,4R,6S)-4-hydroxy-2,4-dimethyl-6-(2-methylbutanoyloxy)-3,5-dioxooxane-2-carboxylate