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English
(Hexopyranosyloxy)(3-hydroxyphenyl)acetonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3-hydroxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
1 reference
based on heuristic
inferred from SMILES
mass
311.100501884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-2-(3-hydroxyphenyl)-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
1 reference
based on heuristic
inferred from InChI
zierin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₇NO₇
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canonical SMILES
N#CC(OC1OC(CO)C(O)C(O)C1O)C=2C=CC=C(O)C2
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isomeric SMILES
C1=CC(=CC(=C1)O)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
found in taxon
Oxyanthus speciosus
2 references
stated in
Cyanogenic glycosides from PS Psydrax and Oxyanthus species[a/t]
stated in
Cyanogenic glycosides from PS Psydrax and Oxyanthus species[a/t]
Sambucus nigra
2 references
stated in
Potential allelochemicals from Sambucus nigra
stated in
Cyanogenic Glycosides from Sambucus Nigra
Brombya platynema
1 reference
stated in
Cyanogenesis in the Australian tropical rainforest endemic Brombya platynema (Rutaceae): chemical characterisation and polymorphism
Identifiers
InChI
InChI=1S/C14H17NO7/c15-5-9(7-2-1-3-8(17)4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1
0 references
InChIKey
KCVXNPDAHDGXFD-GMDXDWKASA-N
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CAS Registry Number
41753-54-2
1 reference
InChIKey
KCVXNPDAHDGXFD-GMDXDWKASA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=41753-54-2
PubChem CID
92323
1 reference
matched by identifier from
InChIKey
InChIKey
KCVXNPDAHDGXFD-GMDXDWKASA-N
UniChem compound ID
66154121
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10961956
1 reference
matched by identifier from
InChIKey
InChIKey
KCVXNPDAHDGXFD-GMDXDWKASA-N
DSSTOX compound identifier
DTXCID401389770
0 references
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