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(Q115951946)
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English
[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 3-(4-hydroxyphenyl)propanoate
group of stereoisomers with the chemical formula C₂₅H₂₈O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
520.158076336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₈O₁₂
0 references
canonical SMILES
O=C1OC2C=C(COC(=O)CCC3=CC=C(O)C=C3)C4C(OC=C1C24)OC5OC(CO)C(O)C(O)C5O
0 references
found in taxon
Galium verum
1 reference
stated in
Iridoid glycosides from Galium verum
Identifiers
InChI
InChI=1S/C25H28O12/c26-8-16-20(29)21(30)22(31)25(36-16)37-24-18-12(7-15-19(18)14(10-34-24)23(32)35-15)9-33-17(28)6-3-11-1-4-13(27)5-2-11/h1-2,4-5,7,10,15-16,18-22,24-27,29-31H,3,6,8-9H2
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InChIKey
UNMSAFXENBIZSU-UHFFFAOYSA-N
0 references
PubChem CID
162862265
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UNMSAFXENBIZSU-UHFFFAOYSA-N
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