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(Q110198076)
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English
3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one
group of stereoisomers with the chemical formula C₂₂H₃₂O₁₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
520.179205704
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₁₄
0 references
canonical SMILES
O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2C=C
0 references
found in taxon
Dipsacus asper
1 reference
stated in
On the chemical constituents of Dipsacus asper.
Dipsacus inermis
1 reference
stated in
On the chemical constituents of Dipsacus asper.
Identifiers
InChI
InChI=1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)7-32-20(8)36-22-17(29)18(14(26)12(6-24)34-22)35-21-16(28)15(27)13(25)11(5-23)33-21/h2,7-9,11-18,20-29H,1,3-6H2
0 references
InChIKey
QBYSXERNIGFSBS-UHFFFAOYSA-N
0 references
PubChem CID
74421854
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QBYSXERNIGFSBS-UHFFFAOYSA-N
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