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(Q105273243)
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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-hydroxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₀H₃₈O₁₆
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
mass
654.215985136
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₃₈O₁₆
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=C6
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Identifiers
InChI
InChI=1S/C30H38O16/c1-12-19(35)25(43-17(34)7-4-13-2-5-14(33)6-3-13)23(39)29(41-12)44-24-15-8-9-40-27(18(15)30(11-32)26(24)46-30)45-28-22(38)21(37)20(36)16(10-31)42-28/h2-9,12,15-16,18-29,31-33,35-39H,10-11H2,1H3
0 references
InChIKey
UIDBQTHSKLRZQA-UHFFFAOYSA-N
0 references
PubChem CID
85446976
1 reference
based on heuristic
inferred from InChIKey
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