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(Q104666834)
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English
Virgatenol
group of stereoisomers with the chemical formula C₁₅H₁₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
276.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₅
0 references
canonical SMILES
O=C1OC=2C=C(OCC(O)C(=C)C)C(OC)=CC2C=C1
0 references
found in taxon
Bupleurum fruticosum
1 reference
stated in
Minor constituents from Bupleurum fruticosum roots
Pterocaulon polystachyum
1 reference
stated in
6,7-Dioxygenated and 5,6,7-Trioxygenated Coumarins from Pterocaulon polystachium
Identifiers
InChI
InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-7-12-10(6-13(14)18-3)4-5-15(17)20-12/h4-7,11,16H,1,8H2,2-3H3
0 references
InChIKey
KFAKUXNOLDEZAV-UHFFFAOYSA-N
0 references
PubChem CID
10636169
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
7361
1 reference
stated in
UniChem
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