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(Q104396376)
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English
Virgatol
group of stereoisomers with the chemical formula C₁₆H₂₀O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
308.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀O₆
0 references
canonical SMILES
O=C1OC=2C=C(OCC(O)C(OC)(C)C)C(OC)=CC2C=C1
0 references
found in taxon
Salvia fruticosa
1 reference
stated in
New Diterpenoids from the Roots of Salvia triloba
Salvia virgata
1 reference
stated in
Virgatol, A New Diterpene from the Roots of Salvia virgata
Salvia triloba
1 reference
stated in
New Diterpenoids from the Roots of Salvia triloba
Identifiers
InChI
InChI=1S/C16H20O6/c1-16(2,20-4)14(17)9-21-13-8-11-10(7-12(13)19-3)5-6-15(18)22-11/h5-8,14,17H,9H2,1-4H3
0 references
InChIKey
FGRJIXKDQBFFIZ-UHFFFAOYSA-N
0 references
PubChem CID
11185914
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FGRJIXKDQBFFIZ-UHFFFAOYSA-N
UniChem compound ID
32924481
1 reference
stated in
UniChem
NMRShiftDB structure ID
20227059
1 reference
matched by identifier from
InChIKey
InChIKey
FGRJIXKDQBFFIZ-UHFFFAOYSA-N
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