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(Q105275006)
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English
(3R)-3-hydroxy-3,7-dimethyloctyl benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hydroxy-3,7-dimethyloctyl benzoate
1 reference
based on heuristic
inferred from SMILES
mass
278.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₆O₃
0 references
canonical SMILES
O=C(OCCC(O)(C)CCCC(C)C)C=1C=CC=CC1
0 references
isomeric SMILES
CC(C)CCC[C@@](C)(O)CCOC(=O)c1ccccc1
0 references
found in taxon
Oryza sativa
1 reference
stated in
Chemical Constituents from the Hulls of Oryza sativa with Cytotoxic Activity
Identifiers
InChI
InChI=1S/C17H26O3/c1-14(2)8-7-11-17(3,19)12-13-20-16(18)15-9-5-4-6-10-15/h4-6,9-10,14,19H,7-8,11-13H2,1-3H3/t17-/m1/s1
0 references
InChIKey
ULBOPHTXADFUBM-QGZVFWFLSA-N
0 references
PubChem CID
46934737
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32090369
1 reference
stated in
UniChem
KNApSAcK ID
C00057620
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ULBOPHTXADFUBM-QGZVFWFLSA-N
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