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(Q67879860)
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English
cis-sabinene hydrate acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
thujane monoterpenoid
0 references
mass
196.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₂
0 references
canonical SMILES
O=C(OC1(C)CCC2(CC12)C(C)C)C
0 references
isomeric SMILES
CC(C)[C@@]12CC[C@@](C1C2)(C)OC(=O)C
0 references
found in taxon
Myristica fragrans
1 reference
stated in
Extraction and separation of volatile and fixed oils from seeds of Myristica fragrans by supercritical CO₂: chemical composition and cytotoxic activity on Caco-2 cancer cells.
Identifiers
InChI
InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10?,11-,12+/m1/s1
0 references
InChIKey
MYCFGFMJUUNKBN-SAIIYOCFSA-N
0 references
PubChem CID
6427493
1 reference
matched by identifier from
InChIKey
InChIKey
MYCFGFMJUUNKBN-SAIIYOCFSA-N
UniChem compound ID
45179581
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0302812
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MYCFGFMJUUNKBN-SAIIYOCFSA-N
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