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(Q82303008)
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English
Phenol, 4-methyl-2-[(1R)-1,2,2-trimethylcyclopentyl]-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
herbertane sesquiterpenoid
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mass
218.167065324
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O
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canonical SMILES
OC1=CC=C(C=C1C2(C)CCCC2(C)C)C
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isomeric SMILES
CC1=CC(=C(C=C1)O)[C@@]2(CCCC2(C)C)C
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found in taxon
Herbertus aduncus
1 reference
stated in
Herbertane sesquiterpenoids from the liverworts Herbertus aduncus and H. borealis
Identifiers
InChI
InChI=1S/C15H22O/c1-11-6-7-13(16)12(10-11)15(4)9-5-8-14(15,2)3/h6-7,10,16H,5,8-9H2,1-4H3/t15-/m0/s1
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InChIKey
OJURUWLXPJSRPZ-HNNXBMFYSA-N
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CAS Registry Number
681035-69-8
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PubChem CID
11816828
1 reference
matched by identifier from
InChIKey
InChIKey
OJURUWLXPJSRPZ-HNNXBMFYSA-N
UniChem compound ID
34455454
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70473540
1 reference
matched by identifier from
InChIKey
InChIKey
OJURUWLXPJSRPZ-HNNXBMFYSA-N
DSSTOX compound identifier
DTXCID10424354
0 references
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