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(Q104995830)
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English
Methyl 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 C₂₄H₂₈O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
508.158076336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₈O₁₂
0 references
canonical SMILES
O=C(OCC1=CCC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C12)C(=O)OC)C4=CC=C(O)C=C4
0 references
found in taxon
Hedyotis fruticosa
1 reference
stated in
Iridoid Glycosides fromHedyotis corymbosa
Identifiers
InChI
InChI=1S/C24H28O12/c1-32-22(31)15-10-34-23(36-24-20(29)19(28)18(27)16(8-25)35-24)17-12(4-7-14(15)17)9-33-21(30)11-2-5-13(26)6-3-11/h2-6,10,14,16-20,23-29H,7-9H2,1H3
0 references
InChIKey
FIRLMNKPITUNFC-UHFFFAOYSA-N
0 references
PubChem CID
73324204
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FIRLMNKPITUNFC-UHFFFAOYSA-N
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