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CHEBI:219016 - 6'-dechloroarnamial

ChEBI IDCHEBI:219016
ChEBI Name6'-dechloroarnamial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O6
Net Charge0
Average Mass414.498
Monoisotopic Mass414.20424
SMILESCOc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1
InChIInChI=1S/C24H30O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,11,14,16,18,21,26-27H,8-10H2,1-5H3/t14-,16+,18-,21+,24-/m1/s1
InChIKeyWOXXSXDXNWLLQQ-ZXSIQIRYSA-N
Species of MetaboliteComponentSourceComments
Armillariaspecies (ncbitaxon:1906949) - PubMed (24906293)
ChEBI Ontology
Outgoing Relation(s)
6'-dechloroarnamial (CHEBI:219016) is a benzoate ester (CHEBI:36054)
6'-dechloroarnamial (CHEBI:219016) 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-hydroxy-4-methoxy-6-methylbenzoate
Manual XrefsDatabases
58108089ChemSpider