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(Q105029763)
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English
Methyl 5-hydroxy-7-[(4-hydroxybenzoyl)oxymethyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₂₄H₂₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
524.1529909559997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₈O₁₃
0 references
canonical SMILES
O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CC(O)C13)COC(=O)C4=CC=C(O)C=C4
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Identifiers
InChI
InChI=1S/C24H28O13/c1-33-22(32)13-9-35-23(37-24-20(30)19(29)18(28)15(7-25)36-24)16-11(6-14(27)17(13)16)8-34-21(31)10-2-4-12(26)5-3-10/h2-6,9,14-20,23-30H,7-8H2,1H3
0 references
InChIKey
HKMDXFWRIFPDKR-UHFFFAOYSA-N
0 references
PubChem CID
163032787
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HKMDXFWRIFPDKR-UHFFFAOYSA-N
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