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(Q105309580)
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English
[3,5-Dihydroxy-2-[[2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₁H₄₀O₁₇
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
684.2265498200001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₀O₁₇
0 references
canonical SMILES
O=C(OC1C(O)C(OC(C)C1O)OC2C3OC3(CO)C4C(OC=CC24)OC5OC(CO)C(O)C(O)C5O)C=CC6=CC=C(O)C(OC)=C6
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Identifiers
InChI
InChI=1S/C31H40O17/c1-12-20(36)26(45-18(35)6-4-13-3-5-15(34)16(9-13)41-2)24(40)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-23(39)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3
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InChIKey
WOLULVRGBCBAIJ-UHFFFAOYSA-N
0 references
PubChem CID
74155545
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WOLULVRGBCBAIJ-UHFFFAOYSA-N
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