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CHEBI:214349 - Arnamial

ChEBI IDCHEBI:214349
ChEBI NameArnamial
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SubmitterMetaboLights
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FormulaC24H29ClO6
Net Charge0
Average Mass448.943
Monoisotopic Mass448.16527
SMILESCOc1cc(O)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(C)c1Cl
InChIInChI=1S/C24H29ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,10,12,14,17,21,27-28H,7-9H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1
InChIKeyKWJJPEZBNLGOFB-RNNQDMPLSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - PubMed (19795841)
ChEBI Ontology
Outgoing Relation(s)
Arnamial (CHEBI:214349) is a benzoate ester (CHEBI:36054)
Arnamial (CHEBI:214349) 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] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate
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24678824ChemSpider