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(Q105162090)
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English
Tovophenone A
group of stereoisomers with the chemical formula C₂₉H₃₆O₅
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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 benzophenone
1 reference
inferred from
biogenic benzophenone
mass
464.5942
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₆O₅
0 references
canonical SMILES
O=C(C=1C=CC=C(O)C1)C=2C(O)=C(C(OC)=C(C2O)CC(C(=C)C)CCC(=C)C)CC=C(C)C
0 references
Identifiers
InChI
InChI=1S/C29H36O5/c1-17(2)11-13-20(19(5)6)16-24-28(33)25(26(31)21-9-8-10-22(30)15-21)27(32)23(29(24)34-7)14-12-18(3)4/h8-10,12,15,20,30,32-33H,1,5,11,13-14,16H2,2-4,6-7H3
0 references
InChIKey
MDZVTKOPDGCETA-UHFFFAOYSA-N
0 references
PubChem CID
100943937
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDZVTKOPDGCETA-UHFFFAOYSA-N
UniChem compound ID
97875789
1 reference
stated in
UniChem
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