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(Q105191889)
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English
2,8-Dioxabicyclo[3.3.1]non-6-en-3-one, 9-ethenyl-6-[(beta-D-glucopyranosyloxy)methyl]-, (1R,5S,9R)-
group of stereoisomers with the chemical formula C₁₆H₂₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
mass
358.1263822839999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₂O₉
0 references
canonical SMILES
O=C1OC2OC=C(COC3OC(CO)C(O)C(O)C3O)C(C1)C2C=C
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Identifiers
InChI
InChI=1S/C16H22O9/c1-2-8-9-3-11(18)25-15(8)22-5-7(9)6-23-16-14(21)13(20)12(19)10(4-17)24-16/h2,5,8-10,12-17,19-21H,1,3-4,6H2
0 references
InChIKey
OGVKNDDWHJWQJZ-UHFFFAOYSA-N
0 references
CAS Registry Number
104777-65-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
73798769
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OGVKNDDWHJWQJZ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID701116732
1 reference
matched by identifier from
InChIKey
InChIKey
OGVKNDDWHJWQJZ-UHFFFAOYSA-N
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