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(Q105137697)
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English
7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoate
group of stereoisomers with the chemical formula C₂₂H₂₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
466.1475116519997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₆O₁₁
0 references
canonical SMILES
O=C(OC1C=C(CO)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C4=CC=C(O)C=C4
0 references
Identifiers
InChI
InChI=1S/C22H26O11/c23-8-11-7-14(31-20(29)10-1-3-12(25)4-2-10)13-5-6-30-21(16(11)13)33-22-19(28)18(27)17(26)15(9-24)32-22/h1-7,13-19,21-28H,8-9H2
0 references
InChIKey
JZWZFNOVWZEQMF-UHFFFAOYSA-N
0 references
PubChem CID
23900070
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JZWZFNOVWZEQMF-UHFFFAOYSA-N
UniChem compound ID
24287208
1 reference
stated in
UniChem
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