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CHEBI:204546 - 14-hydroxydihydromelleolide

ChEBI IDCHEBI:204546
ChEBI Name14-hydroxydihydromelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3C[C@@](C)(CO)C[C@H]3C=C(CO)[C@]12O
InChIInChI=1S/C23H30O7/c1-12-4-15(26)6-17(27)19(12)20(28)30-18-9-22(3)16-8-21(2,11-25)7-13(16)5-14(10-24)23(18,22)29/h4-6,13,16,18,24-27,29H,7-11H2,1-3H3/t13-,16?,18-,21+,22-,23+/m1/s1
InChIKeyHDGURVCSOJDUHT-GJQGFOMNSA-N
Species of MetaboliteComponentSourceComments
Armillaria tabescens (ncbitaxon:47431) - DOI (10.1016/S0031-9422(96)00599-7)
ChEBI Ontology
Outgoing Relation(s)
14-hydroxydihydromelleolide (CHEBI:204546) is a benzoate ester (CHEBI:36054)
14-hydroxydihydromelleolide (CHEBI:204546) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,6S,7bR)-2a-hydroxy-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
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78437154ChemSpider