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(Q104169901)
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English
2-[5-methoxycarbonyl-3-[1-(2-methylbut-2-enoyloxy)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
group of stereoisomers with the chemical formula C₂₂H₃₂O₁₃
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Statements
instance of
group of stereoisomers
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subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
mass
504.18429108399965
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₁₃
0 references
canonical SMILES
O=C(O)CC1C(=COC(OC2OC(CO)C(O)C(O)C2O)C1C(OC(=O)C(=CC)C)C)C(=O)OC
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Identifiers
InChI
InChI=1S/C22H32O13/c1-5-9(2)19(29)33-10(3)15-11(6-14(24)25)12(20(30)31-4)8-32-21(15)35-22-18(28)17(27)16(26)13(7-23)34-22/h5,8,10-11,13,15-18,21-23,26-28H,6-7H2,1-4H3,(H,24,25)
0 references
InChIKey
JVEXRQAKPOSWCW-UHFFFAOYSA-N
0 references
PubChem CID
73078741
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JVEXRQAKPOSWCW-UHFFFAOYSA-N
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