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(Q104952396)
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English
4-(carboxymethyl)-3-ethenyl-2-[3,4,5-trihydroxy-6-[(8-hydroxy-2,6-dimethyloct-2-enoyl)oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
group of stereoisomers with the chemical formula C₂₆H₃₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
secoiridoid monoterpenoid
1 reference
inferred from
secoiridoid monoterpenoid
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
mass
558.2312412759998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₈O₁₃
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(COC(=O)C(=CCCC(C)CCO)C)C(O)C(O)C2O)C(C=C)C1CC(=O)O
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Identifiers
InChI
InChI=1S/C26H38O13/c1-4-15-16(10-19(28)29)17(23(33)34)11-37-25(15)39-26-22(32)21(31)20(30)18(38-26)12-36-24(35)14(3)7-5-6-13(2)8-9-27/h4,7,11,13,15-16,18,20-22,25-27,30-32H,1,5-6,8-10,12H2,2-3H3,(H,28,29)(H,33,34)
0 references
InChIKey
CBISEPGLGPECNR-UHFFFAOYSA-N
0 references
PubChem CID
162880313
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CBISEPGLGPECNR-UHFFFAOYSA-N
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