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(Q63398295)
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English
(3R,6R)-6-(hydroxymethyl)-3-methyl-6-nonyloxan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
270.21949482
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Malyngolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₃₀O₃
0 references
canonical SMILES
CCCCCCCCCC1(CO)CCC(C)C(=O)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCC[C@@]1(CC[C@H](C(=O)O1)C)CO
0 references
Identifiers
InChI
InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-11-16(13-17)12-10-14(2)15(18)19-16/h14,17H,3-13H2,1-2H3/t14-,16-/m1/s1
0 references
InChIKey
OEXPVULGTKWKEH-GDBMZVCRSA-N
0 references
PubChem CID
12859237
1 reference
matched by identifier from
InChIKey
InChIKey
OEXPVULGTKWKEH-GDBMZVCRSA-N
UniChem compound ID
96823122
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP005234
0 references
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