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(Q105289060)
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English
(2E)-3-[4-hydroxy-4-(3-methylbut-3-en-1-yl)cyclohexa-1,5-dien-1-yl]prop-2-enoic acid
group of stereoisomers with the chemical formula C₁₄H₁₈O₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
234.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈O₃
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canonical SMILES
O=C(O)C=CC=1C=CC(O)(CC1)CCC(=C)C
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isomeric SMILES
C=C(C)CCC1(O)C=CC(/C=C/C(=O)O)=CC1
1 reference
based on heuristic
inferred from InChI
found in taxon
Populus ciliata
1 reference
stated in
Analysis of phenolics of bud exudate of Populus ciliata by GC-MS
Identifiers
InChI
InChI=1S/C14H18O3/c1-11(2)5-8-14(17)9-6-12(7-10-14)3-4-13(15)16/h3-4,6-7,9,17H,1,5,8,10H2,2H3,(H,15,16)/b4-3+
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InChIKey
VMLXBYIYGVDEBW-ONEGZZNKSA-N
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