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(Q83059543)
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English
Anhydro-beta-rotunol
chemical compound
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default values for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
spirovetivanes
0 references
mass
216.15141526
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O
0 references
canonical SMILES
O=C1C=C(C)C2(C(=C1)C)CCC(C(=C)C)C2
0 references
isomeric SMILES
C=C(C)[C@@H]1CCC2(C1)C(C)=CC(=O)C=C2C
0 references
found in taxon
Solanum aethiopicum
2 references
stated in
Sesquiterpenoids from the roots of Solanum aethiopicum
stated in
Sesquiterpenoids in root exudates of Solanum aethiopicum
Identifiers
InChI
InChI=1S/C15H20O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7-8,13H,1,5-6,9H2,2-4H3/t13-/m1/s1
0 references
InChIKey
JZRJXZHBHSDLDS-CYBMUJFWSA-N
0 references
CAS Registry Number
34206-82-1
0 references
PubChem CID
11195296
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZRJXZHBHSDLDS-CYBMUJFWSA-N
UniChem compound ID
34161524
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70187796
1 reference
matched by identifier from
InChIKey
InChIKey
JZRJXZHBHSDLDS-CYBMUJFWSA-N
DSSTOX compound identifier
DTXCID30110287
0 references
KNApSAcK ID
C00061506
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZRJXZHBHSDLDS-CYBMUJFWSA-N
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