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(Q105142193)
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English
4a-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₂₂O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
390.3399
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₁₁
0 references
canonical SMILES
O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(=CCC13O)CO
0 references
found in taxon
Thevetia neriifolia
1 reference
stated in
Thevesid, ein neues iridoidglucosid aus thevetia peruviana (pers.) K. Schum. (apocynaceae)
Identifiers
InChI
InChI=1S/C16H22O11/c17-3-6-1-2-16(24)7(13(22)23)5-25-14(9(6)16)27-15-12(21)11(20)10(19)8(4-18)26-15/h1,5,8-12,14-15,17-21,24H,2-4H2,(H,22,23)
0 references
InChIKey
KKGHSVKNCUMEEN-UHFFFAOYSA-N
0 references
PubChem CID
14635620
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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