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(Q67880114)
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English
thymyl isovalerate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)CC(C)C
0 references
found in taxon
Calea villosa
1 reference
stated in
Three furanoheliangolides from Calea villosa
Callilepis salicifolia
1 reference
stated in
Five tricyclic sesquiterpenes from Callilepis salicifolia
Identifiers
InChI
InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3
0 references
InChIKey
NZIACPHCVAFJBR-UHFFFAOYSA-N
0 references
CAS Registry Number
69844-33-3
1 reference
InChIKey
NZIACPHCVAFJBR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=69844-33-3
PubChem CID
155224
1 reference
matched by identifier from
InChIKey
InChIKey
NZIACPHCVAFJBR-UHFFFAOYSA-N
UniChem compound ID
33555440
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70220137
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
NZIACPHCVAFJBR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70142628
0 references
AICS Chemical ID (BEING DELETED)
27477
0 references
UNII
A5Z5X5C4KL
1 reference
matched by identifier from
InChIKey
InChIKey
NZIACPHCVAFJBR-UHFFFAOYSA-N
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