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(Q115951935)
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English
S-[[2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl] ethanethioate
group of stereoisomers with the chemical formula C₁₈H₂₂O₁₀S
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
430.093367904
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂O₁₀S
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canonical SMILES
O=C1OC2C=C(CSC(=O)C)C3C(OC=C1C23)OC4OC(CO)C(O)C(O)C4O
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found in taxon
Paederia foetida
1 reference
stated in
Studies on monoterpene glucosides. VII. Iridoid glucosides of Paederia scandens
Paederia scandens
1 reference
stated in
Studies on monoterpene glucosides. VII. Iridoid glucosides of Paederia scandens
Identifiers
InChI
InChI=1S/C18H22O10S/c1-6(20)29-5-7-2-9-12-8(16(24)26-9)4-25-17(11(7)12)28-18-15(23)14(22)13(21)10(3-19)27-18/h2,4,9-15,17-19,21-23H,3,5H2,1H3
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InChIKey
RFICMYIICQFJSW-UHFFFAOYSA-N
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PubChem CID
12313902
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
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