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(Q105131955)
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English
3-[3-Acetyl-5-(3,7-dimethyl-2,6-octadienyl)-2,4,6-trihydroxybenzyl]-6-ethyl-4-hydroxy-5-methyl-2h-pyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic alkylphenol
0 references
mass
470.230453428
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₄O₇
0 references
canonical SMILES
O=C1OC(=C(C(O)=C1CC=2C(O)=C(C(O)=C(C2O)CC=C(C)CCC=C(C)C)C(=O)C)C)CC
0 references
found in taxon
Helichrysum stoechas
1 reference
stated in
Constituents of Helichrysum stoechas variety olonnense
Identifiers
InChI
InChI=1S/C27H34O7/c1-7-21-16(5)23(29)20(27(33)34-21)13-19-24(30)18(25(31)22(17(6)28)26(19)32)12-11-15(4)10-8-9-14(2)3/h9,11,29-32H,7-8,10,12-13H2,1-6H3
0 references
InChIKey
JNJPUUZKFGYDTE-UHFFFAOYSA-N
0 references
PubChem CID
76169799
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JNJPUUZKFGYDTE-UHFFFAOYSA-N
UniChem compound ID
81072019
1 reference
stated in
UniChem
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