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(Q105247189)
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English
bis(4-hydroxyphenyl)methyl (2R)-2-ethyl-2-hydroxy-4-methylpentanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
358.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₅
0 references
canonical SMILES
O=C(OC(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2)C(O)(CC)CC(C)C
0 references
isomeric SMILES
CC[C@@](O)(CC(C)C)C(=O)OC(c1ccc(O)cc1)c1ccc(O)cc1
0 references
found in taxon
Habenaria repens
1 reference
stated in
Habenariol, a freshwater feeding deterrent from the aquatic orchid Habenaria repens (Orchidaceae)
Micranthemum umbrosum
1 reference
stated in
Structure-activity relationship of chemical defenses from the freshwater plant Micranthemum umbrosum.
Identifiers
InChI
InChI=1S/C21H26O5/c1-4-21(25,13-14(2)3)20(24)26-19(15-5-9-17(22)10-6-15)16-7-11-18(23)12-8-16/h5-12,14,19,22-23,25H,4,13H2,1-3H3/t21-/m1/s1
0 references
InChIKey
RXNVZHSSBDLGHI-OAQYLSRUSA-N
0 references
PubChem CID
100989770
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97851315
1 reference
stated in
UniChem
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