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(Q105226058)
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English
[4-Hydroxy-6-methyl-8-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
group of stereoisomers with the chemical formula C₂₃H₂₈O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
pinane monoterpenoid
1 reference
inferred from
pinane monoterpenoid
mass
480.163161716
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₈O₁₁
0 references
canonical SMILES
O=C(OCC12C(=O)OC3(C)CC(O)C2CC31OC4OC(CO)C(O)C(O)C4O)C=5C=CC=CC5
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found in taxon
Paeonia tenuifolia
2 references
stated in
Receptor and transporter binding and activity profiles of albiflorin extracted from Radix paeoniae Alba
stated in
Studies on metabolism of total glucosides of paeony from Paeoniae Radix Alba in rats by UPLC-Q-TOF-MS/MS.
Paeonia × suffruticosa
3 references
stated in
Monoterpene glycosides from Paeonia hybrida
stated in
Studies on metabolism of total glucosides of paeony from Paeoniae Radix Alba in rats by UPLC-Q-TOF-MS/MS.
stated in
Receptor and transporter binding and activity profiles of albiflorin extracted from Radix paeoniae Alba
Chinese peony
4 references
stated in
Monoterpene glycosides from Paeonia hybrida
stated in
Studies on metabolism of total glucosides of paeony from Paeoniae Radix Alba in rats by UPLC-Q-TOF-MS/MS.
stated in
Receptor and transporter binding and activity profiles of albiflorin extracted from Radix paeoniae Alba
stated in
Comparative studies of paeoniflorin and albiflorin from Paeonia lactiflora on anti-inflammatory activities
Identifiers
InChI
InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3
0 references
InChIKey
QQUHMASGPODSIW-UHFFFAOYSA-N
0 references
PubChem CID
15558589
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QQUHMASGPODSIW-UHFFFAOYSA-N
ChEBI ID
182115
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3
UniChem compound ID
69889156
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0248116
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QQUHMASGPODSIW-UHFFFAOYSA-N
Probes And Drugs ID
PD086945
0 references
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