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(Q105258555)
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English
2-(Hydroxymethyl)-6-[[1,5,5-trimethyl-6-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]oxane-3,4,5-triol
group of stereoisomers with the chemical formula C₂₅H₄₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
megastigmane
1 reference
inferred from
megastigmane
mass
550.262541404
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₄₂O₁₃
0 references
canonical SMILES
OCC1OC(OC(C=CC23OC3(C)CC(OC4OC(CO)C(O)C(O)C4O)CC2(C)C)C)C(O)C(O)C1O
0 references
found in taxon
Equisetum debile
1 reference
stated in
Megastigmane glucosides from Equisetum debile and E. diffusum
Identifiers
InChI
InChI=1S/C25H42O13/c1-11(34-21-19(32)17(30)15(28)13(9-26)36-21)5-6-25-23(2,3)7-12(8-24(25,4)38-25)35-22-20(33)18(31)16(29)14(10-27)37-22/h5-6,11-22,26-33H,7-10H2,1-4H3
0 references
InChIKey
SQTKMGALJXXATL-UHFFFAOYSA-N
0 references
PubChem CID
74065617
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SQTKMGALJXXATL-UHFFFAOYSA-N
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