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(Q82647796)
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English
O-(4-Hydroxy-3-methylphenyl)-3,5-dimethyl-L-tyrosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
315.147058152
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₁NO₄
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canonical SMILES
Cc1cc(Oc2c(C)cc(CC(N)C(=O)O)cc2C)ccc1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C)C)C[C@@H](C(=O)O)N
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Identifiers
InChI
InChI=1S/C18H21NO4/c1-10-8-14(4-5-16(10)20)23-17-11(2)6-13(7-12(17)3)9-15(19)18(21)22/h4-8,15,20H,9,19H2,1-3H3,(H,21,22)/t15-/m0/s1
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InChIKey
YWPBISOWVAJMMJ-HNNXBMFYSA-N
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CAS Registry Number
52050-08-5
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PubChem CID
54531093
1 reference
matched by identifier from
InChIKey
InChIKey
YWPBISOWVAJMMJ-HNNXBMFYSA-N
UniChem compound ID
30445786
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50712000
1 reference
matched by identifier from
InChIKey
InChIKey
YWPBISOWVAJMMJ-HNNXBMFYSA-N
DSSTOX compound identifier
DTXCID80662746
0 references
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