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(Q82887296)
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English
1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethylnaphthalene-2-methanol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(2R,8aR)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
1 reference
based on heuristic
inferred from SMILES
2-[(8aS)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
1 reference
based on heuristic
inferred from SMILES
mass
222.198365452
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₆O
0 references
canonical SMILES
OC(C)(C)C1CCC2=CCCC(C)C2(C)C1
0 references
found in taxon
Melaleuca leucadendra
1 reference
stated in
Phytochemical analysis and in vitro free-radical-scavenging activities of the essential oils from leaf and fruit of Melaleuca leucadendra L.
Aquilaria malaccensis
2 references
stated in
Components of the Volatile Concentrate of Agarwood
stated in
Sesquiterpenoids in two different kinds of agarwood
Identifiers
InChI
InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3
0 references
InChIKey
MQWIFDHBNGIVPO-UHFFFAOYSA-N
0 references
CAS Registry Number
94201-17-9
1 reference
InChIKey
MQWIFDHBNGIVPO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=94201-17-9
PubChem CID
146808
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-UHFFFAOYSA-N
UniChem compound ID
32010930
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70916144
1 reference
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID001345110
0 references
Human Metabolome Database ID
HMDB0034951
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MQWIFDHBNGIVPO-UHFFFAOYSA-N
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