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CHEBI:209977 - Dehydroarmillylorsellinate

ChEBI IDCHEBI:209977
ChEBI NameDehydroarmillylorsellinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O6
Net Charge0
Average Mass400.471
Monoisotopic Mass400.18859
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(C=O)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12
InChIInChI=1S/C23H28O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,10,13,15,17,20,25-27H,7-9H2,1-4H3/t13-,15+,17-,20+,23-/m1/s1
InChIKeyZXLVDZRNPKMJND-NJORCMFTSA-N
Species of MetaboliteComponentSourceComments
Armillaria (ncbitaxon:47424) - PubMed (21376582)
ChEBI Ontology
Outgoing Relation(s)
Dehydroarmillylorsellinate (CHEBI:209977) is a benzoate ester (CHEBI:36054)
Dehydroarmillylorsellinate (CHEBI:209977) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,4S,4aR,7aS,7bR)-3-ormyl-4-hydroxy-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
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