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(Q105173808)
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English
Brachycoumarin
group of stereoisomers with the chemical formula C₂₀H₂₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
312.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₃
0 references
canonical SMILES
O=C1OC2=CC=CC(=C2C(O)=C1C(C(=CCC=C(C)C)C)C)C
0 references
isomeric SMILES
CC(C)=CC/C=C(\C)C(C)c1c(O)c2c(C)cccc2oc1=O
0 references
found in taxon
Brachyclados megalanthus
1 reference
stated in
Further 5-methyl coumarins and other constituents from the subtribe mutisiinae
Identifiers
InChI
InChI=1S/C20H24O3/c1-12(2)8-6-9-13(3)15(5)18-19(21)17-14(4)10-7-11-16(17)23-20(18)22/h7-11,15,21H,6H2,1-5H3/b13-9+
0 references
InChIKey
MWUPCDHWZJCKQP-UKTHLTGXSA-N
0 references
PubChem CID
101317835
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32043820
1 reference
stated in
UniChem
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