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(Q105223205)
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English
6-[2-(3,4-dihydroxyphenyl)-2-oxoethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₄O₁₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
638.184685008
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₄O₁₆
0 references
canonical SMILES
O=C(OC1C(OC(OCC(=O)C2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4
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Identifiers
InChI
InChI=1S/C29H34O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,20,22-34,37-40H,10-11H2,1H3
0 references
InChIKey
QKMLPSOMRMIAPR-UHFFFAOYSA-N
0 references
PubChem CID
162941510
1 reference
matched by identifier from
InChIKey
InChIKey
QKMLPSOMRMIAPR-UHFFFAOYSA-N
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