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CHEBI:222768 - 4-dehydro-dihydromelleolide

ChEBI IDCHEBI:222768
ChEBI Name4-dehydro-dihydromelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3C[C@H](C)C[C@H]3C=C(CO)[C@]12O
InChIInChI=1S/C22H28O6/c1-11-4-13-7-14(10-23)22(27)18(9-21(22,3)16(13)5-11)28-20(26)19-12(2)6-15(24)8-17(19)25/h6-8,11,13,16,18,23-25,27H,4-5,9-10H2,1-3H3/t11-,13+,16?,18-,21-,22+/m1/s1
InChIKeyREHNZVPVFKWZNO-NZLMYRKJSA-N
Species of MetaboliteComponentSourceComments
Armillaria tabescens (ncbitaxon:47431) - DOI (10.1016/S0031-9422(96)00599-7)
ChEBI Ontology
Outgoing Relation(s)
4-dehydro-dihydromelleolide (CHEBI:222768) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2R,2aS,4aS,6R,7bR)-2a-hydroxy-3-(hydroxymethyl)-6,7b-dimethyl-2,4a,5,6,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
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