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(Q82101031)
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Tagetonol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
fatty alcohol
0 references
biogenic acyclic ketone
0 references
mass
170.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₈O₂
0 references
canonical SMILES
O=C(CC(C)C)CC(O)(C=C)C
0 references
found in taxon
Zanthoxylum armatum
2 references
stated in
Chemical constituents from the seeds of Zanthoxylum alatum
stated in
Hydroxyalk-(4Z)-enoic Acids and Volatile Components from the Seeds of Zanthoxylum armatum
Identifiers
InChI
InChI=1S/C10H18O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5,8,12H,1,6-7H2,2-4H3
0 references
InChIKey
HPKAJXIDKBSLHJ-UHFFFAOYSA-N
0 references
CAS Registry Number
71547-63-2
0 references
PubChem CID
522417
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HPKAJXIDKBSLHJ-UHFFFAOYSA-N
ChEBI ID
180213
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H18O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5,8,12H,1,6-7H2,2-4H3
UniChem compound ID
32017204
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50334948
1 reference
matched by identifier from
InChIKey
InChIKey
HPKAJXIDKBSLHJ-UHFFFAOYSA-N
DTXSID701274605
1 reference
matched by identifier from
InChIKey
InChIKey
HPKAJXIDKBSLHJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30286037
0 references
Human Metabolome Database ID
HMDB0039149
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HPKAJXIDKBSLHJ-UHFFFAOYSA-N
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