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(Q105161721)
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English
[(3R,5E)-7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic acyclic ester
0 references
biogenic acyclic peroxide
0 references
mass
228.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₄
0 references
canonical SMILES
O=C(OC(C=C)(C)CC=CC(OO)(C)C)C
0 references
isomeric SMILES
C=C[C@@](C)(C/C=C/C(C)(C)OO)OC(C)=O
0 references
found in taxon
Eriocephalus kingesii
1 reference
stated in
Sesquiterpene lactones and other constituents from Eriocephalus species
Identifiers
InChI
InChI=1S/C12H20O4/c1-6-12(5,15-10(2)13)9-7-8-11(3,4)16-14/h6-8,14H,1,9H2,2-5H3/b8-7+/t12-/m0/s1
0 references
InChIKey
MDHMWLQXNWJRGN-GUOLPTJISA-N
0 references
PubChem CID
163040218
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDHMWLQXNWJRGN-GUOLPTJISA-N
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