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(Q105360545)
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English
[5-(Hydroxymethyl)-5,9,14-trimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-2-yl] acetate
group of stereoisomers with the chemical formula C₂₂H₃₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
kaurane diterpenoid
1 reference
inferred from
kaurane diterpenoid
mass
362.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(OC1CC2C(C)(CO)CCCC2(C)C3CCC4CC13C5OC54C)C
0 references
found in taxon
Sideritis italica
1 reference
stated in
Diterpenes from sideritis sicula ucria
Sideritis syriaca
1 reference
stated in
Diterpenes from sideritis sicula ucria
Identifiers
InChI
InChI=1S/C22H34O4/c1-13(24)25-17-10-16-19(2,12-23)8-5-9-20(16,3)15-7-6-14-11-22(15,17)18-21(14,4)26-18/h14-18,23H,5-12H2,1-4H3
0 references
InChIKey
YSPZBZPFWJQSQN-UHFFFAOYSA-N
0 references
PubChem CID
131752043
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YSPZBZPFWJQSQN-UHFFFAOYSA-N
UniChem compound ID
32006067
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036704
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YSPZBZPFWJQSQN-UHFFFAOYSA-N
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