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(Q105036466)
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English
Bohlmann K4084
group of stereoisomers with the chemical formula C₁₃H₁₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
198.06807956
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₀O₂
0 references
canonical SMILES
C(C#CC)#CC=C1OC2(OC=CC2)C=C1
0 references
isomeric SMILES
CC#CC#C/C=C1\C=CC2(CC=CO2)O1
1 reference
based on heuristic
inferred from InChI
found in taxon
Brocchia cinerea
1 reference
stated in
Sesquiterpene-coumarin ethers and polyacetylenes from Bfrocchia cinerea
Identifiers
InChI
InChI=1S/C13H10O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h6-8,10-11H,9H2,1H3/b12-7+
0 references
InChIKey
IBELVOGDVQQPMZ-KPKJPENVSA-N
0 references
PubChem CID
5375536
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IBELVOGDVQQPMZ-KPKJPENVSA-N
UniChem compound ID
53784991
1 reference
stated in
UniChem
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