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(Q105192528)
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English
[6-[3-(3,4-Dimethoxybenzoyl)oxy-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-3-methoxybenzoate
group of stereoisomers with the chemical formula C₂₇H₃₂O₁₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
580.179205704
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₂O₁₄
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canonical SMILES
O=C(OCC1OC(OC(=O)C(C)COC(=O)C2=CC=C(OC)C(OC)=C2)C(O)C(O)C1O)C3=CC=C(O)C(OC)=C3
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found in taxon
Gentiana pyrenaica
1 reference
stated in
Secoiridoids and a Phenolic Glucoside from Gentiana pyrenaica
Identifiers
InChI
InChI=1S/C27H32O14/c1-13(11-38-25(33)15-6-8-17(35-2)19(10-15)37-4)24(32)41-27-23(31)22(30)21(29)20(40-27)12-39-26(34)14-5-7-16(28)18(9-14)36-3/h5-10,13,20-23,27-31H,11-12H2,1-4H3
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InChIKey
OIIQCNVBKMYPJT-UHFFFAOYSA-N
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PubChem CID
14483895
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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