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(Q105249098)
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English
4a-Hydroxy-4-(oxiran-2-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one
group of stereoisomers with the chemical formula C₁₆H₂₂O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
mass
390.116211524
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₁₁
0 references
canonical SMILES
O=C1OCCC2(O)C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C4OC4
0 references
found in taxon
Gentianella germanica
1 reference
stated in
Secoiridoid glucosides from Gentiana campestris
Identifiers
InChI
InChI=1S/C16H22O11/c17-3-7-10(18)11(19)12(20)15(26-7)27-14-9(8-5-24-8)16(22)1-2-23-13(21)6(16)4-25-14/h4,7-12,14-15,17-20,22H,1-3,5H2
0 references
InChIKey
SASRTFVIQCGADD-UHFFFAOYSA-N
0 references
PubChem CID
14543432
2 references
stated in
PubChem
retrieved
4 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SASRTFVIQCGADD-UHFFFAOYSA-N
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