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(Q82421307)
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English
2-Methoxy-4-[1,2,3-tris(ethylsulfanyl)propyl]phenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
346.109493072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₆O₂S₃
0 references
canonical SMILES
OC1=CC=C(C=C1OC)C(SCC)C(SCC)CSCC
0 references
found in taxon
Arabidopsis thaliana
1 reference
stated in
Insights into lignin primary structure and deconstruction from Arabidopsis thaliana COMT (caffeic acid O-methyl transferase) mutant Atomt1.
Identifiers
InChI
InChI=1S/C16H26O2S3/c1-5-19-11-15(20-6-2)16(21-7-3)12-8-9-13(17)14(10-12)18-4/h8-10,15-17H,5-7,11H2,1-4H3
0 references
InChIKey
BDPCOCVSGZVUKV-UHFFFAOYSA-N
0 references
CAS Registry Number
97141-24-7
0 references
PubChem CID
13577651
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BDPCOCVSGZVUKV-UHFFFAOYSA-N
UniChem compound ID
67229683
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90544241
0 references
DSSTOX compound identifier
DTXCID30495026
0 references
KNApSAcK ID
C00063533
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BDPCOCVSGZVUKV-UHFFFAOYSA-N
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