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English
Acetylbupleurotoxin
group of stereoisomers with the chemical formula C₁₉H₂₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic acyclic ester
1 reference
inferred from
biogenic acyclic ester
fatty alcohol
1 reference
inferred from
fatty alcohol
mass
300.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₄O₃
0 references
canonical SMILES
O=C(OC(CCC=CC=CC#CC#CC=CCO)CCC)C
0 references
isomeric SMILES
CCCC(CC/C=C/C=C/C#CC#C/C=C\CO)OC(C)=O
1 reference
based on heuristic
inferred from InChI
found in taxon
Bupleurum chinense
1 reference
stated in
Qualitative and quantitative determination of polyacetylenes in different Bupleurum species by high performance liquid chromatography with diode array detector and mass spectrometry
Identifiers
InChI
InChI=1S/C19H24O3/c1-3-15-19(22-18(2)21)16-13-11-9-7-5-4-6-8-10-12-14-17-20/h5,7,9,11-12,14,19-20H,3,13,15-17H2,1-2H3/b7-5+,11-9+,14-12-
0 references
InChIKey
SFZVRHWQKJMBGD-XHWFXLNJSA-N
0 references
PubChem CID
6435768
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SFZVRHWQKJMBGD-XHWFXLNJSA-N
UniChem compound ID
63635311
1 reference
stated in
UniChem
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