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(Q105346590)
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English
Methyl 6-[2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethyl]-5-ethenyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate
group of stereoisomers with the chemical formula C₂₇H₃₄O₁₂
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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
550.205026528
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₄O₁₂
0 references
canonical SMILES
O=C(OCCC1C(=CCC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC)C=CC3=CC=C(O)C(O)=C3
0 references
found in taxon
Sinoadina racemosa
1 reference
stated in
Six Secoiridoid Glucosides from Jasminum polyanthum.
Identifiers
InChI
InChI=1S/C27H34O12/c1-3-15-16(10-11-37-22(31)9-5-14-4-7-18(29)19(30)12-14)17(26(35)36-2)6-8-20(15)38-27-25(34)24(33)23(32)21(13-28)39-27/h3-7,9,12,15-16,20-21,23-25,27-30,32-34H,1,8,10-11,13H2,2H3
0 references
InChIKey
YCXZRYPACPFHPG-UHFFFAOYSA-N
0 references
PubChem CID
163106693
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YCXZRYPACPFHPG-UHFFFAOYSA-N
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