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(Q105371900)
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English
3-Methoxy-4-hydroxy-trans-cinnamic acid (4E,6E,12E)-4,6,12-tetradecatriene-8,10-diynyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
mass
376.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₄O₄
0 references
canonical SMILES
O=C(OCCCC=CC=CC#CC#CC=CC)C=CC1=CC=C(O)C(OC)=C1
0 references
isomeric SMILES
C/C=C/C#CC#C/C=C/C=C/CCCOC(=O)/C=C/c1ccc(O)c(OC)c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Adenocaulon himalaicum
1 reference
stated in
An acetylene and a monoterpene glycoside from Adenocaulon himalaicum
Identifiers
InChI
InChI=1S/C24H24O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-28-24(26)18-16-21-15-17-22(25)23(20-21)27-2/h3-4,9-12,15-18,20,25H,13-14,19H2,1-2H3/b4-3+,10-9+,12-11+,18-16+
0 references
InChIKey
ZCZQSRLWRJBEDP-XHHPIRETSA-N
0 references
PubChem CID
101142749
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZCZQSRLWRJBEDP-XHHPIRETSA-N
UniChem compound ID
97860888
1 reference
stated in
UniChem
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