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CHEBI:214493 - 13-hydroxymelleolide K

ChEBI IDCHEBI:214493
ChEBI Name13-hydroxymelleolide K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27ClO7
Net Charge0
Average Mass450.915
Monoisotopic Mass450.14453
SMILESCc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@]3(O)C=C(C=O)[C@]12O
InChIInChI=1S/C23H27ClO7/c1-11-17(13(26)5-14(27)18(11)24)19(28)31-16-8-21(4)15-7-20(2,3)10-22(15,29)6-12(9-25)23(16,21)30/h5-6,9,15-16,26-27,29-30H,7-8,10H2,1-4H3/t15-,16-,21-,22+,23+/m1/s1
InChIKeyYLRYEAULWVNKHX-ORDITMOKSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (25524590)
ChEBI Ontology
Outgoing Relation(s)
13-hydroxymelleolide K (CHEBI:214493) is a benzoate ester (CHEBI:36054)
13-hydroxymelleolide K (CHEBI:214493) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aR,7aR,7bR)-3-ormyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-4,6-dihydroxy-2-methylbenzoate
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78438583ChemSpider