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(Q105220038)
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English
3,4-Dihydroxy-trans-cinnamic acid nonacosane-1-yl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
mass
586.496110592
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₆₆O₄
0 references
canonical SMILES
O=C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C=CC1=CC=C(O)C(O)=C1
0 references
isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Hypericum laricifolium
1 reference
stated in
Constituents of Hypericum laricifolium and their cyclooxygenase (COX) enzyme activities
Identifiers
InChI
InChI=1S/C38H66O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(41)32-30-35-29-31-36(39)37(40)34-35/h29-32,34,39-40H,2-28,33H2,1H3/b32-30+
0 references
InChIKey
QGGNKCVMGSWVQA-NHQGMKOOSA-N
0 references
PubChem CID
11376748
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QGGNKCVMGSWVQA-NHQGMKOOSA-N
UniChem compound ID
34656552
1 reference
stated in
UniChem
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