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(Q105325591)
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English
[6-[2-(3,4-Dihydroxyphenyl)-2-hydroxyethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₆O₁₆
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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
640.200335072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₆O₁₆
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
0 references
found in taxon
Orobanche connata
1 reference
stated in
Phenylpropanoid glycosides from Orobanche caerulescens
Identifiers
InChI
InChI=1S/C29H36O16/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/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3
0 references
InChIKey
XDAXWJHQKZRSEY-UHFFFAOYSA-N
0 references
PubChem CID
85091108
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XDAXWJHQKZRSEY-UHFFFAOYSA-N
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