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(Q82111835)
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English
AGN-PC-0JT4J8
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
caryophyllane sesquiterpenoid
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
OC1C(=CCC2C(CC2(C)C)C(C)CC1)C
0 references
found in taxon
Magnolia officinalis
1 reference
stated in
Comparison of the volatile constituents of different parts of Cortex magnolia officinalis by GC-MS combined with chemometric resolution method.
Identifiers
InChI
InChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,10,12-14,16H,6-9H2,1-4H3
0 references
InChIKey
QYGTVPFTIUUDSL-UHFFFAOYSA-N
0 references
CAS Registry Number
913176-41-7
0 references
PubChem CID
573880
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QYGTVPFTIUUDSL-UHFFFAOYSA-N
UniChem compound ID
50995851
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90341550
1 reference
matched by identifier from
InChIKey
InChIKey
QYGTVPFTIUUDSL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10292631
0 references
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