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(Q105223095)
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English
(E)-4-isothiocyanato-1-[(S)-methylsulfinyl]but-1-ene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-isothiocyanato-1-methanesulfinylbut-1-ene
1 reference
based on heuristic
inferred from SMILES
mass
175.012555908
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
L-sulforaphen
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₆H₉NOS₂
0 references
canonical SMILES
[O-][S+](C=CCCN=C=S)C
0 references
isomeric SMILES
C[S@+]([O-])/C=C/CCN=C=S
0 references
found in taxon
radish
2 references
stated in
Raphanin, an antibacterial principle of the radish (Raphanus sativus).
stated in
Q94713603
Raphanus raphanistrum
2 references
stated in
Q94713603
stated in
Raphanin, an antibacterial principle of the radish (Raphanus sativus).
Identifiers
InChI
InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+/t10-/m0/s1
0 references
InChIKey
QKGJFQMGPDVOQE-GFAPAMAISA-N
0 references
PubChem CID
124389422
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QKGJFQMGPDVOQE-GFAPAMAISA-N
UniChem compound ID
150924007
1 reference
stated in
UniChem
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