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(Q63409164)
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Hexyl tiglate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
184.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₂₀O₂
0 references
canonical SMILES
O=C(OCCCCCC)C(=CC)C
0 references
isomeric SMILES
CCCCCCOC(=O)/C(=C/C)/C
0 references
found in taxon
Hamamelis virginiana
1 reference
stated in
Study on the composition of the volatile fraction of Hamamelis virginiana
Artemisia annua
1 reference
stated in
Composition of the essential oil from the root of Artemisia annua
Lonicera japonica
1 reference
stated in
Profiling and characterization of volatile components from non-fumigated and sulfur-fumigated Flos Lonicerae Japonicae using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry coupled with chemical group separation
Identifiers
InChI
InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+
0 references
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
0 references
CAS Registry Number
16930-96-4
1 reference
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=16930-96-4
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
PubChem CID
637523
1 reference
matched by identifier from
InChIKey
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
SureChEMBL ID
SCHEMBL396657
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
SCHEMBL36099
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
UniChem compound ID
15954147
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006842
0 references
NMRShiftDB structure ID
10008733
1 reference
matched by identifier from
InChIKey
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
DSSTox substance ID
DTXSID5051783
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
DSSTOX compound identifier
DTXCID4030338
0 references
AICS Chemical ID (BEING DELETED)
14565
0 references
KNApSAcK ID
C00030482
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JTCIUOKKVACNCK-BJMVGYQFSA-N
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