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(Q105141096)
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English
Tovophenone C
group of stereoisomers with the chemical formula C₂₉H₃₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,3,6-trimethylheptane monoterpenoid
1 reference
inferred from
2,3,6-trimethylheptane monoterpenoid
biogenic benzofuran
1 reference
inferred from
biogenic benzofuran
mass
480.25118887199983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₆O₆
0 references
canonical SMILES
O=C(C=1C=CC=C(O)C1)C=2C(O)=C(C(OC)=C3C2OC(C3)C(O)(C)C)CC(C(=C)C)CCC(=C)C
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Identifiers
InChI
InChI=1S/C29H36O6/c1-16(2)11-12-18(17(3)4)14-21-26(32)24(25(31)19-9-8-10-20(30)13-19)28-22(27(21)34-7)15-23(35-28)29(5,6)33/h8-10,13,18,23,30,32-33H,1,3,11-12,14-15H2,2,4-7H3
0 references
InChIKey
KHCZTQXZRBKGKK-UHFFFAOYSA-N
0 references
PubChem CID
100943936
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KHCZTQXZRBKGKK-UHFFFAOYSA-N
UniChem compound ID
96943104
1 reference
stated in
UniChem
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