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(Q105234511)
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English
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate
group of stereoisomers with the chemical formula C₁₁H₁₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
camphan monoterpenoid
1 reference
inferred from
camphan monoterpenoid
mass
182.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₈O₂
0 references
canonical SMILES
O=COC1CC2CCC1(C)C2(C)C
0 references
found in taxon
Ageratum conyzoides
2 references
stated in
Chemical composition of the essential oil ofAgeratum conyzoides L. (Asteraceae) from Réunion
stated in
The Essential Oil ofAgeratum conyzoidesL. from Ghana
Sideritis dichotoma
1 reference
stated in
Characterization of the Essential Oil ofSideritis dichotoma
Valeriana officinalis
1 reference
stated in
On terpenes. CLXXVII. The composition of valerian oil (Valeriana officinalis L.)
Zingiber officinale
1 reference
stated in
Comparison of different drying methods on Chinese ginger (Zingiber officinale Roscoe): Changes in volatiles, chemical profile, antioxidant properties, and microstructure
Identifiers
InChI
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
0 references
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
0 references
CAS Registry Number
74219-20-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
518472
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL309630
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
UniChem compound ID
26824463
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006472
1 reference
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Fac_Eng_Univ_Tokyo-JP006471
1 reference
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID30862597
1 reference
matched by identifier from
InChIKey
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038245
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
KNApSAcK ID
C00062898
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RDWUNORUTVEHJF-UHFFFAOYSA-N
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