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CHEBI:209252 - 13-Hydroxy-4-methoxymelleolide

ChEBI IDCHEBI:209252
ChEBI Name13-Hydroxy-4-methoxymelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESCO[C@]12C(C=O)=C[C@]3(O)C[C@@H](C)CC3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C23H28O7/c1-12-5-17-21(3)10-18(23(21,29-4)14(11-24)9-22(17,28)8-12)30-20(27)19-13(2)6-15(25)7-16(19)26/h6-7,9,11-12,17-18,25-26,28H,5,8,10H2,1-4H3/t12-,17?,18+,21+,22+,23-/m0/s1
InChIKeyVXSDDYTVNCZFSA-YQKCTETRSA-N
Species of MetaboliteComponentSourceComments
Armillaria tabescens (ncbitaxon:47431) - DOI (10.1016/S0031-9422(96)00599-7)
ChEBI Ontology
Outgoing Relation(s)
13-Hydroxy-4-methoxymelleolide (CHEBI:209252) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2R,2aS,4aR,6S,7bR)-3-ormyl-4a-hydroxy-2a-methoxy-6,7b-dimethyl-1,2,5,6,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
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78437387ChemSpider