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(Q104968567)
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English
(2S)-6-(2H-1,3-benzodioxol-5-yl)hexan-2-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(2H-1,3-benzodioxol-5-yl)hexan-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
222.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₃
0 references
canonical SMILES
OC(C)CCCCC1=CC=C2OCOC2=C1
0 references
isomeric SMILES
C[C@H](O)CCCCc1ccc2c(c1)OCO2
0 references
found in taxon
Ruta angustifolia
1 reference
stated in
Four aromatic derivatives from Ruta angustifolia
Identifiers
InChI
InChI=1S/C13H18O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h6-8,10,14H,2-5,9H2,1H3/t10-/m0/s1
0 references
InChIKey
CRJTVKZRDOEDRM-JTQLQIEISA-N
0 references
PubChem CID
163014567
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CRJTVKZRDOEDRM-JTQLQIEISA-N
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