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CHEBI:226150 - 4-dehydro-14-hydroxydihydromelleolide

ChEBI IDCHEBI:226150
ChEBI Name4-dehydro-14-hydroxydihydromelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3C[C@@](C)(CO)C[C@H]3C=C(CO)[C@H]12
InChIInChI=1S/C23H30O6/c1-12-4-15(26)6-17(27)19(12)21(28)29-18-9-23(3)16-8-22(2,11-25)7-13(16)5-14(10-24)20(18)23/h4-6,13,16,18,20,24-27H,7-11H2,1-3H3/t13-,16?,18-,20-,22+,23-/m1/s1
InChIKeyGZSLRRKHFILKBE-VEUHUEPOSA-N
Species of MetaboliteComponentSourceComments
Armillaria tabescens (ncbitaxon:47431) - DOI (10.1016/S0031-9422(96)00599-7)
ChEBI Ontology
Outgoing Relation(s)
4-dehydro-14-hydroxydihydromelleolide (CHEBI:226150) is a benzoate ester (CHEBI:36054)
4-dehydro-14-hydroxydihydromelleolide (CHEBI:226150) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aR,4aS,6S,7bR)-3,6-bis(hydroxymethyl)-6,7b-dimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
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