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(Q105152379)
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English
methyl 1-methyl-3-oxo-8-[3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
group of stereoisomers with the chemical formula C₂₅H₃₀O₁₄
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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
554.1635556399997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₀O₁₄
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(COC(=O)C3=CC=C(O)C(OC)=C3)C(O)C(O)C2O)C4C(OC(=O)CC14)C
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Identifiers
InChI
InChI=1S/C25H30O14/c1-10-18-12(7-17(27)37-10)13(23(32)34-3)8-36-24(18)39-25-21(30)20(29)19(28)16(38-25)9-35-22(31)11-4-5-14(26)15(6-11)33-2/h4-6,8,10,12,16,18-21,24-26,28-30H,7,9H2,1-3H3
0 references
InChIKey
LIVSNGMPJUCRLO-UHFFFAOYSA-N
0 references
PubChem CID
14707227
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LIVSNGMPJUCRLO-UHFFFAOYSA-N
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