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(Q72461639)
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English
N-p-trans-Coumaroyltyramine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
283.120843404
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇NO₃
0 references
canonical SMILES
O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+
0 references
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
36417-86-4
0 references
PubChem CID
5372945
1 reference
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
ChEBI ID
65665
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+
SureChEMBL ID
SCHEMBL19551426
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
SCHEMBL2512193
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
DSSTox substance ID
DTXSID401318618
1 reference
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
Human Metabolome Database ID
HMDB0039521
1 reference
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
KNApSAcK ID
C00028801
1 reference
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
C00034085
1 reference
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
UNII
5WQM3PJ2UK
1 reference
matched by identifier from
InChIKey
InChIKey
RXGUTQNKCXHALN-BJMVGYQFSA-N
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