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(Q105120332)
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English
(4R,5S)-4-hydroxy-5-[(1S,2R,3R)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-Hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
268.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Cardiobutanolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₆
0 references
canonical SMILES
O=C1OC(C(O)C1)C(O)C(O)C(O)C=2C=CC=CC2
0 references
isomeric SMILES
O=C1C[C@@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H](O)c2ccccc2)O1
0 references
found in taxon
Goniothalamus cardiopetalus
3 references
stated in
Cardiobutanolide, a styryllactone from Goniothalamus cardiopetalus
stated in
Cardiobutanolide, a Styryllactone from Goniothalamus cardiopetalus.
stated in
Cardiobutanolide, a styryllactone from Goniothalamus cardiopetalus
Identifiers
InChI
InChI=1S/C13H16O6/c14-8-6-9(15)19-13(8)12(18)11(17)10(16)7-4-2-1-3-5-7/h1-5,8,10-14,16-18H,6H2/t8-,10-,11-,12+,13+/m1/s1
0 references
InChIKey
ITWCBKGNWXDVFP-XTAFZBPGSA-N
0 references
PubChem CID
639643
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ITWCBKGNWXDVFP-XTAFZBPGSA-N
UniChem compound ID
8239801
1 reference
stated in
UniChem
NMRShiftDB structure ID
10019451
1 reference
matched by identifier from
InChIKey
InChIKey
ITWCBKGNWXDVFP-XTAFZBPGSA-N
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