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CHEBI:200376 - Armillarikin

ChEBI IDCHEBI:200376
ChEBI NameArmillarikin
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SubmitterMetaboLights
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FormulaC24H29ClO7
Net Charge0
Average Mass464.942
Monoisotopic Mass464.16018
SMILESCOc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@]23O)CC(C)(C)[C@@H]4O)c(C)c1Cl
InChIInChI=1S/C24H29ClO7/c1-11-17(14(27)7-15(31-5)19(11)25)21(29)32-16-9-23(4)18-12(8-22(2,3)20(18)28)6-13(10-26)24(16,23)30/h6-7,10,12,16,18,20,27-28,30H,8-9H2,1-5H3/t12-,16-,18-,20-,23-,24+/m1/s1
InChIKeyLNEWYAZEAYTKQI-UEXMDZLUSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (17262464)
ChEBI Ontology
Outgoing Relation(s)
Armillarikin (CHEBI:200376) is a benzoate ester (CHEBI:36054)
Armillarikin (CHEBI:200376) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7R,7aS,7bR)-3-ormyl-2a,7-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
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78439615ChemSpider