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(Q105346824)
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English
[5-Acetyloxy-4-hydroxy-6-[[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]-2-methyloxan-3-yl] 3-(4-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₃H₄₂O₁₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
710.2421998840001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₄₂O₁₇
0 references
canonical SMILES
O=C(OC1C(O)C(OC(=O)C)C(OC1C)OC2C3OC3(CO)C4C(OC=CC24)OC5OC(CO)C(O)C(O)C5O)C=CC6=CC=C(OC)C=C6
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Identifiers
InChI
InChI=1S/C33H42O17/c1-14-26(47-20(37)9-6-16-4-7-17(42-3)8-5-16)25(41)28(45-15(2)36)32(44-14)48-27-18-10-11-43-30(21(18)33(13-35)29(27)50-33)49-31-24(40)23(39)22(38)19(12-34)46-31/h4-11,14,18-19,21-32,34-35,38-41H,12-13H2,1-3H3
0 references
InChIKey
YDMFEFFCWOVGRR-UHFFFAOYSA-N
0 references
PubChem CID
162914308
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YDMFEFFCWOVGRR-UHFFFAOYSA-N
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