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(Q105326198)
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English
4a,5-dihydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7aH-cyclopenta[c]pyran-7-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₅H₃₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
540.1842910839997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₂O₁₃
0 references
canonical SMILES
O=C(OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C=CC4=CC=C(O)C(OC)=C4
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Identifiers
InChI
InChI=1S/C25H32O13/c1-24(38-17(29)6-4-12-3-5-13(27)14(9-12)34-2)10-16(28)25(33)7-8-35-23(21(24)25)37-22-20(32)19(31)18(30)15(11-26)36-22/h3-9,15-16,18-23,26-28,30-33H,10-11H2,1-2H3
0 references
InChIKey
XEAHABRMMIVTAK-UHFFFAOYSA-N
0 references
PubChem CID
73795913
1 reference
matched by identifier from
InChIKey
InChIKey
XEAHABRMMIVTAK-UHFFFAOYSA-N
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