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(Q105289275)
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English
[2-[3-(3,4-Dihydroxyphenyl)propoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-methylpent-2-enoate
group of stereoisomers with the chemical formula C₂₁H₃₀O₉
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
426.4583
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₉
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canonical SMILES
O=C(OC1C(O)C(OCCCC2=CC=C(O)C(O)=C2)OC(CO)C1O)C=C(C)CC
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Identifiers
InChI
InChI=1S/C21H30O9/c1-3-12(2)9-17(25)30-20-18(26)16(11-22)29-21(19(20)27)28-8-4-5-13-6-7-14(23)15(24)10-13/h6-7,9-10,16,18-24,26-27H,3-5,8,11H2,1-2H3
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InChIKey
VMTFBFWTIUGTJU-UHFFFAOYSA-N
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PubChem CID
163012866
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VMTFBFWTIUGTJU-UHFFFAOYSA-N
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