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(Q105021013)
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English
[7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3,5-dimethoxybenzoate
group of stereoisomers with the chemical formula C₂₄H₃₂O₁₃
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Statements
instance of
group of stereoisomers
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subclass of
iridoid
1 reference
inferred from
iridoid
mass
528.1842910839997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₂O₁₃
0 references
canonical SMILES
O=C(OC1CC(O)(C)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C4=CC(OC)=C(O)C(OC)=C4
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Identifiers
InChI
InChI=1S/C24H32O13/c1-24(31)8-14(35-21(30)10-6-12(32-2)17(26)13(7-10)33-3)11-4-5-34-22(16(11)24)37-23-20(29)19(28)18(27)15(9-25)36-23/h4-7,11,14-16,18-20,22-23,25-29,31H,8-9H2,1-3H3
0 references
InChIKey
GVBVLPSUZPTMSB-UHFFFAOYSA-N
0 references
PubChem CID
75130846
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
80067915
1 reference
stated in
UniChem
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