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CHEBI:220061 - 6'-chloro-13-hydroxy-dihydromelleolide

ChEBI IDCHEBI:220061
ChEBI Name6'-chloro-13-hydroxy-dihydromelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H29ClO7
Net Charge0
Average Mass452.931
Monoisotopic Mass452.16018
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(CO)[C@]12O
InChIInChI=1S/C23H29ClO7/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/h5-6,15-16,25-27,29-30H,7-10H2,1-4H3/t15-,16+,21-,22+,23+/m1/s1
InChIKeySETJNSDQZJKGBR-OCAABVOHSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (21376582)
ChEBI Ontology
Outgoing Relation(s)
6'-chloro-13-hydroxy-dihydromelleolide (CHEBI:220061) is a benzoate ester (CHEBI:36054)
6'-chloro-13-hydroxy-dihydromelleolide (CHEBI:220061) is a sesquiterpenoid (CHEBI:26658)