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(Q104917429)
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English
4-(2-Chloro-1-hydroxyethyl)-4a-hydroxy-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 C₁₆H₂₃ClO₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
mass
426.092889236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₃ClO₁₁
0 references
canonical SMILES
O=C1OCCC2(O)C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)CCl
0 references
found in taxon
Gentianella germanica
1 reference
stated in
Secoiridoid glucosides from Gentiana campestris
Identifiers
InChI
InChI=1S/C16H23ClO11/c17-3-7(19)9-14(26-5-6-13(23)25-2-1-16(6,9)24)28-15-12(22)11(21)10(20)8(4-18)27-15/h5,7-12,14-15,18-22,24H,1-4H2
0 references
InChIKey
ARMMNIKQQDMXLP-UHFFFAOYSA-N
0 references
PubChem CID
14543434
2 references
stated in
PubChem
retrieved
4 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ARMMNIKQQDMXLP-UHFFFAOYSA-N
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