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CHEBI:191846 - Armillyl everninate

ChEBI IDCHEBI:191846
ChEBI NameArmillyl everninate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O6
Net Charge0
Average Mass416.514
Monoisotopic Mass416.21989
SMILES[H][C@]12CC(C)(C)C[C@@]1([H])[C@H](O)C(CO)=C1[C@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@@]12C
InChIInChI=1S/C24H32O6/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/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3/t14-,16+,18-,21+,24-/m1/s1
InChIKeyKIBURFBDQVFUHO-ZXSIQIRYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
Armillaria mellea (ncbitaxon:47429) - DOI (10.1021/np50043a013)
ChEBI Ontology
Outgoing Relation(s)
Armillyl everninate (CHEBI:191846) is a benzoate ester (CHEBI:36054)
Armillyl everninate (CHEBI:191846) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names 
[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
[(2R,4S,7bR)-4-hydroxy-3-(hydroxymethyl)-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
163955ChemSpider
Registry NumbersSources
CAS:102092-44-4ChemIDplus