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(Q104921710)
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English
methyl 5-ethylidene-4-[2-oxo-2-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethoxy]ethyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
group of stereoisomers with the chemical formula C₃₁H₄₂O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
mass
686.2421998840001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₂O₁₇
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3
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Identifiers
InChI
InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)13-44-29(16)48-31-27(40)25(38)23(36)20(12-33)47-31)10-21(34)43-9-8-14-4-6-15(7-5-14)45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,13,17,19-20,22-27,29-33,35-40H,8-12H2,1-2H3
0 references
InChIKey
AZIMXRPUOIPIKL-UHFFFAOYSA-N
0 references
PubChem CID
163025549
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AZIMXRPUOIPIKL-UHFFFAOYSA-N
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