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(Q105115474)
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English
Bornyl valerate
group of stereoisomers with the chemical formula C₁₅H₂₆O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
camphan monoterpenoid
1 reference
inferred from
camphan monoterpenoid
mass
238.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₆O₂
0 references
canonical SMILES
O=C(OC1CC2CCC1(C)C2(C)C)CCCC
0 references
found in taxon
Artemisia apiacea
1 reference
stated in
Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.
Artemisia caruifolia
1 reference
stated in
Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.
Artemisia carvifolia
1 reference
stated in
Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry.
Identifiers
InChI
InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
0 references
InChIKey
ILUAVCBOWYHFAI-UHFFFAOYSA-N
0 references
CAS Registry Number
20279-31-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
110801
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILUAVCBOWYHFAI-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1171684
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILUAVCBOWYHFAI-UHFFFAOYSA-N
UniChem compound ID
24570717
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006510
1 reference
InChIKey
ILUAVCBOWYHFAI-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
DTXSID70864090
1 reference
matched by identifier from
InChIKey
InChIKey
ILUAVCBOWYHFAI-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038247
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILUAVCBOWYHFAI-UHFFFAOYSA-N
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