MiMeDB: Showing metabocard for D-Psicose (MMDBc0000290)

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-10-28 00:08:48 UTC

Update Date

2025-10-07 16:04:13 UTC

Metabolite ID

MMDBc0000290

Metabolite Identification

Common Name

D-Psicose

Description

D-Psicose is a rare sugar belonging to the class of monosaccharides, specifically a C-3 epimer of D-fructose. Its chemical structure features a six-carbon backbone with a hydroxyl group at the third carbon, distinguishing it from its isomeric counterparts. D-Psicose is synthesized through the enzymatic action of D-psicose 3-epimerase (DPEase), which catalyzes the conversion of D-fructose into D-psicose. This enzymatic pathway is critical for its production, as demonstrated by studies showing that purified DPEase achieves a maximum conversion rate of 17.03% under optimal conditions (PMID:40598404 ). The enzyme can be immobilized and reused, maintaining 83.38% relative activity over five cycles, which enhances its industrial viability (PMID:40598404 ). The stability and efficiency of DPEase make it a promising candidate for large-scale D-psicose production, potentially reducing energy costs and simplifying synthesis processes (PMID:40598404 ). D-Psicose's low-calorie nature and health benefits position it as a valuable sweetener in the food and pharmaceutical industries, further emphasizing the importance of understanding its chemical properties and production pathways (PMID:40598404 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05041409542D          

 15 14  0  0  1  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  1  0  0  0
 10  4  2  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  1  0  0  0
  3 13  1  1  0  0  0
  5 14  1  6  0  0  0
  6 15  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000290

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)C(=O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1

> <INCHI_KEY>
BJHIKXHVCXFQLS-PUFIMZNGSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
16.269287866951423

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one

> <ALOGPS_LOGP>
-2.23

> <JCHEM_LOGP>
-3.2670318919999994

> <ALOGPS_LOGS>
0.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.602831772026633

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.481384767416438

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9745010563329766

> <JCHEM_POLAR_SURFACE_AREA>
118.22

> <JCHEM_REFRACTIVITY>
37.56179999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.99e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
psicose

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    5    9   13                                             
CONECT    4    2    6   10                                                  
CONECT    5    3    6   11   14                                             
CONECT    6    4    5   12   15                                             
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    3                                                            
CONECT   14    5                                                            
CONECT   15    6                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   28    0
END

Synonyms

Value	Source
D-Allulose	ChEBI
D-Altrulose	ChEBI
D-Erythro-hexulose	ChEBI
D-Pseudofructose	ChEBI
D-Psi	ChEBI
D-Ribo-2-hexulose	ChEBI
D-Ribo-2-ketohexulose	ChEBI
Psicose	MeSH
Allulose	MeSH
Psicose, (D)-isomer	MeSH
D-Ribo-2-ketohexose	MeSH
Psicose, (L)-isomer	MeSH
D-Psicose	MeSH

Molecular Formula

C₆H₁₂O₆

Average Mass

180.1559

Monoisotopic Mass

180.063388116

IUPAC Name

(3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one

Traditional Name

psicose

CAS Registry Number

551-68-8

SMILES

[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)C(=O)CO

InChI Identifier

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1

InChI Key

BJHIKXHVCXFQLS-PUFIMZNGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharides

Alternative Parents

Substituents

Monosaccharide
Beta-hydroxy ketone
Acyloin
Alpha-hydroxy ketone
Secondary alcohol
Ketone
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

psicose (CHEBI:27605 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	399 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-3.3	ChemAxon
logS	0.35	ALOGPS
pKa (Strongest Acidic)	9.48	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	37.56 m³·mol⁻¹	ChemAxon
Polarizability	16.27 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_21) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-17	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	305.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	293.3
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	45.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	240.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	291.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	324.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	672.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	725.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	885.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	166.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	341.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	187.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	28.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	370.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	643.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	75.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	252.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	897.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	610.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	D-Psicose_TMS_1	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	1812.59
Gas Chromatography	D-Psicose_TMS_2	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	1841.31
Gas Chromatography	D-Psicose_TMS_3	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	2081.9
Gas Chromatography	D-Psicose_TMS_4	C[Si](C)(C)O[C@@H](C(=O)CO)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1766.36
Gas Chromatography	D-Psicose_TMS_5	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	2047.17
Gas Chromatography	D-Psicose_TMS_6	C[Si](C)(C)OC(CO)=C(O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1646.41
Gas Chromatography	D-Psicose_TMS_7	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1957.74
Gas Chromatography	D-Psicose_TMS_8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	1773.01
Gas Chromatography	D-Psicose_TMS_9	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	1857.16
Gas Chromatography	D-Psicose_TMS_10	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)CO	standard non polar	2025-10-23	2145.02
Gas Chromatography	D-Psicose_TMS_11	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2256.37
Gas Chromatography	D-Psicose_TMS_12	C[Si](C)(C)OC(CO)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2101.26
Gas Chromatography	D-Psicose_TMS_13	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1906.13
Gas Chromatography	D-Psicose_TMS_14	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	1644.85
Gas Chromatography	D-Psicose_TMS_15	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)CO	standard non polar	2025-10-23	2019.8
Gas Chromatography	D-Psicose_TMS_16	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	1945.03
Gas Chromatography	D-Psicose_TMS_17	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2150.88
Gas Chromatography	D-Psicose_TMS_18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	1807.21
Gas Chromatography	D-Psicose_TMS_19	C[Si](C)(C)O[C@@H](C(=O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1897.69
Gas Chromatography	D-Psicose_TMS_20	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1993.99
Gas Chromatography	D-Psicose_TMS_21	C[Si](C)(C)OC(CO)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1709.5
Gas Chromatography	D-Psicose_TMS_22	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1535.77
Gas Chromatography	D-Psicose_TMS_23	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	2025.73
Gas Chromatography	D-Psicose_TMS_24	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	2423.83
Gas Chromatography	D-Psicose_TMS_25	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1819.66
Gas Chromatography	D-Psicose_TMS_26	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1815.22
Gas Chromatography	D-Psicose_TMS_27	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	2063.6
Gas Chromatography	D-Psicose_TMS_28	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)CO	standard non polar	2025-10-23	2162.78
Gas Chromatography	D-Psicose_TMS_29	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)CO	standard non polar	2025-10-23	1370.56
Gas Chromatography	D-Psicose_TMS_30	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2310.09
Gas Chromatography	D-Psicose_TMS_31	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2081.5
Gas Chromatography	D-Psicose_TMS_32	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	2153.82
Gas Chromatography	D-Psicose_TMS_33	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)CO	standard non polar	2025-10-23	1620.51
Gas Chromatography	D-Psicose_TMS_34	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1880.19
Gas Chromatography	D-Psicose_TMS_35	C[Si](C)(C)OC(CO)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1821.53
Gas Chromatography	D-Psicose_TMS_36	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1561.55
Gas Chromatography	D-Psicose_TMS_37	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1581.9
Gas Chromatography	D-Psicose_TMS_38	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1984.79
Gas Chromatography	D-Psicose_TMS_39	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1847.06
Gas Chromatography	D-Psicose_TMS_40	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1935.02
Gas Chromatography	D-Psicose_TMS_41	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2189.08
Gas Chromatography	D-Psicose_TMS_42	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)CO	standard non polar	2025-10-23	1640.98
Gas Chromatography	D-Psicose_TMS_43	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	1771.76
Gas Chromatography	D-Psicose_TMS_44	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2326.08
Gas Chromatography	D-Psicose_TMS_45	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	1689.58
Gas Chromatography	D-Psicose_TMS_46	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2136.66
Gas Chromatography	D-Psicose_TMS_47	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1993.97
Gas Chromatography	D-Psicose_TMS_48	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	2754.49
Gas Chromatography	D-Psicose_TMS_49	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2009.85
Gas Chromatography	D-Psicose_TMS_50	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2449.26
Gas Chromatography	D-Psicose_TMS_51	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2084.66
Gas Chromatography	D-Psicose_TMS_52	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2203.79
Gas Chromatography	D-Psicose_TMS_53	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1973.88
Gas Chromatography	D-Psicose_TMS_54	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1048.62
Gas Chromatography	D-Psicose_TMS_55	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	2335.23
Gas Chromatography	D-Psicose_TMS_56	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1736.48
Gas Chromatography	D-Psicose_TMS_57	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard non polar	2025-10-23	1825.95
Gas Chromatography	D-Psicose_TMS_58	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)CO	standard non polar	2025-10-23	1764.72
Gas Chromatography	D-Psicose_TMS_59	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	990.487
Gas Chromatography	D-Psicose_TMS_60	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2596.46
Gas Chromatography	D-Psicose_TMS_61	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	2316.93
Gas Chromatography	D-Psicose_TMS_62	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2709.86
Gas Chromatography	D-Psicose_TMS_63	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1847.58
Gas Chromatography	D-Psicose_TMS_64	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	2117.63
Gas Chromatography	D-Psicose_TMS_65	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2868.99
Gas Chromatography	D-Psicose_TMS_66	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1432.52
Gas Chromatography	D-Psicose_TMS_67	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1626.34
Gas Chromatography	D-Psicose_TMS_68	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1118.41
Gas Chromatography	D-Psicose_TMS_69	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1721.54
Gas Chromatography	D-Psicose_TMS_70	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1874.05
Gas Chromatography	D-Psicose_TMS_71	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2086.15
Gas Chromatography	D-Psicose_TMS_72	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2474.38
Gas Chromatography	D-Psicose_TMS_73	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	1389.85
Gas Chromatography	D-Psicose_TMS_74	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2871.16
Gas Chromatography	D-Psicose_TMS_75	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1926.53
Gas Chromatography	D-Psicose_TMS_76	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	2176.38
Gas Chromatography	D-Psicose_TMS_77	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	1949.49
Gas Chromatography	D-Psicose_TMS_78	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2500.67
Gas Chromatography	D-Psicose_TMS_79	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2313.58
Gas Chromatography	D-Psicose_TMS_80	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	1351.24
Gas Chromatography	D-Psicose_TMS_81	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1550.69
Gas Chromatography	D-Psicose_TMS_82	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-23	1855.2
Gas Chromatography	D-Psicose_TMS_83	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1942.57
Gas Chromatography	D-Psicose_TMS_84	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2201.23
Gas Chromatography	D-Psicose_TMS_85	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard non polar	2025-10-23	1978.45
Gas Chromatography	D-Psicose_TMS_86	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2188.49
Gas Chromatography	D-Psicose_TMS_87	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1744.5
Gas Chromatography	D-Psicose_TMS_88	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1883.66
Gas Chromatography	D-Psicose_TMS_89	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1238.03
Gas Chromatography	D-Psicose_TMS_90	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2229.84
Gas Chromatography	D-Psicose_TMS_91	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2287.33
Gas Chromatography	D-Psicose_TMS_92	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2166.11
Gas Chromatography	D-Psicose_TMS_93	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-23	2736.62
Gas Chromatography	D-Psicose_TMS_94	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1834.68
Gas Chromatography	D-Psicose_TMS_95	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2039.87
Gas Chromatography	D-Psicose_TMS_1	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O)C(=O)CO	standard polar	2025-10-23	1879.51
Gas Chromatography	D-Psicose_TMS_2	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO	standard polar	2025-10-23	2184.82
Gas Chromatography	D-Psicose_TMS_3	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H](O)C(=O)CO	standard polar	2025-10-23	1990.68
Gas Chromatography	D-Psicose_TMS_4	C[Si](C)(C)O[C@@H](C(=O)CO)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2064.3
Gas Chromatography	D-Psicose_TMS_5	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1995.66
Gas Chromatography	D-Psicose_TMS_6	C[Si](C)(C)OC(CO)=C(O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2072.72
Gas Chromatography	D-Psicose_TMS_7	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1928.05
Gas Chromatography	D-Psicose_TMS_8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=O)CO	standard polar	2025-10-23	1671.92
Gas Chromatography	D-Psicose_TMS_9	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)C(=O)CO	standard polar	2025-10-23	2328.22
Gas Chromatography	D-Psicose_TMS_10	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)CO	standard polar	2025-10-23	1791.96
Gas Chromatography	D-Psicose_TMS_11	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2207.17
Gas Chromatography	D-Psicose_TMS_12	C[Si](C)(C)OC(CO)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2190.03
Gas Chromatography	D-Psicose_TMS_13	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2007.79
Gas Chromatography	D-Psicose_TMS_14	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)CO	standard polar	2025-10-23	2229.27
Gas Chromatography	D-Psicose_TMS_15	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)CO	standard polar	2025-10-23	2116.98
Gas Chromatography	D-Psicose_TMS_16	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	1654.64
Gas Chromatography	D-Psicose_TMS_17	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	1524.98
Gas Chromatography	D-Psicose_TMS_18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	1996.9
Gas Chromatography	D-Psicose_TMS_19	C[Si](C)(C)O[C@@H](C(=O)CO)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	1996.88
Gas Chromatography	D-Psicose_TMS_20	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2169.1
Gas Chromatography	D-Psicose_TMS_21	C[Si](C)(C)OC(CO)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2382.21
Gas Chromatography	D-Psicose_TMS_22	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2268.8
Gas Chromatography	D-Psicose_TMS_23	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2773.44
Gas Chromatography	D-Psicose_TMS_24	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1856.6
Gas Chromatography	D-Psicose_TMS_25	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2306.57
Gas Chromatography	D-Psicose_TMS_26	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2085.78
Gas Chromatography	D-Psicose_TMS_27	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1651.43
Gas Chromatography	D-Psicose_TMS_28	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=O)CO	standard polar	2025-10-23	2187.04
Gas Chromatography	D-Psicose_TMS_29	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=O)CO	standard polar	2025-10-23	2396.54
Gas Chromatography	D-Psicose_TMS_30	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1806.16
Gas Chromatography	D-Psicose_TMS_31	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	2062.28
Gas Chromatography	D-Psicose_TMS_32	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	2026.93
Gas Chromatography	D-Psicose_TMS_33	C[Si](C)(C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)CO	standard polar	2025-10-23	2040.12
Gas Chromatography	D-Psicose_TMS_34	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1617.86
Gas Chromatography	D-Psicose_TMS_35	C[Si](C)(C)OC(CO)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1694.46
Gas Chromatography	D-Psicose_TMS_36	C[Si](C)(C)OC(=CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2144.9
Gas Chromatography	D-Psicose_TMS_37	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1615.16
Gas Chromatography	D-Psicose_TMS_38	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1828.61
Gas Chromatography	D-Psicose_TMS_39	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2233.09
Gas Chromatography	D-Psicose_TMS_40	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1804.72
Gas Chromatography	D-Psicose_TMS_41	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1813.06
Gas Chromatography	D-Psicose_TMS_42	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)CO	standard polar	2025-10-23	2005.6
Gas Chromatography	D-Psicose_TMS_43	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2462.41
Gas Chromatography	D-Psicose_TMS_44	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	1558.35
Gas Chromatography	D-Psicose_TMS_45	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	2509.83
Gas Chromatography	D-Psicose_TMS_46	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2079.0
Gas Chromatography	D-Psicose_TMS_47	C[Si](C)(C)OC[C@@H](O)[C@@H](O)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	2524.65
Gas Chromatography	D-Psicose_TMS_48	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	1838.55
Gas Chromatography	D-Psicose_TMS_49	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	1992.91
Gas Chromatography	D-Psicose_TMS_50	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2732.34
Gas Chromatography	D-Psicose_TMS_51	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2250.91
Gas Chromatography	D-Psicose_TMS_52	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	1834.07
Gas Chromatography	D-Psicose_TMS_53	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2342.55
Gas Chromatography	D-Psicose_TMS_54	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	1873.39
Gas Chromatography	D-Psicose_TMS_55	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2293.04
Gas Chromatography	D-Psicose_TMS_56	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	1929.78
Gas Chromatography	D-Psicose_TMS_57	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO	standard polar	2025-10-23	2037.89
Gas Chromatography	D-Psicose_TMS_58	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)CO	standard polar	2025-10-23	2088.29
Gas Chromatography	D-Psicose_TMS_59	C[Si](C)(C)OCC(=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2673.4
Gas Chromatography	D-Psicose_TMS_60	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	1815.05
Gas Chromatography	D-Psicose_TMS_61	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	1684.1
Gas Chromatography	D-Psicose_TMS_62	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2071.12
Gas Chromatography	D-Psicose_TMS_63	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	1971.82
Gas Chromatography	D-Psicose_TMS_64	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	2866.1
Gas Chromatography	D-Psicose_TMS_65	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1794.13
Gas Chromatography	D-Psicose_TMS_66	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1276.27
Gas Chromatography	D-Psicose_TMS_67	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2069.02
Gas Chromatography	D-Psicose_TMS_68	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1755.67
Gas Chromatography	D-Psicose_TMS_69	C[Si](C)(C)OC(=CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2006.13
Gas Chromatography	D-Psicose_TMS_70	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2005.31
Gas Chromatography	D-Psicose_TMS_71	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2203.63
Gas Chromatography	D-Psicose_TMS_72	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1848.28
Gas Chromatography	D-Psicose_TMS_73	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1610.05
Gas Chromatography	D-Psicose_TMS_74	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	1926.28
Gas Chromatography	D-Psicose_TMS_75	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	1238.12
Gas Chromatography	D-Psicose_TMS_76	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	2515.86
Gas Chromatography	D-Psicose_TMS_77	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	1645.68
Gas Chromatography	D-Psicose_TMS_78	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	1858.13
Gas Chromatography	D-Psicose_TMS_79	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2485.34
Gas Chromatography	D-Psicose_TMS_80	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2385.88
Gas Chromatography	D-Psicose_TMS_81	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	2099.77
Gas Chromatography	D-Psicose_TMS_82	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-23	1852.95
Gas Chromatography	D-Psicose_TMS_83	C[Si](C)(C)OCC(=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2622.36
Gas Chromatography	D-Psicose_TMS_84	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CO)O[Si](C)(C)C	standard polar	2025-10-23	2406.03
Gas Chromatography	D-Psicose_TMS_85	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=CO)O[Si](C)(C)C	standard polar	2025-10-23	2372.65
Gas Chromatography	D-Psicose_TMS_86	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2058.64
Gas Chromatography	D-Psicose_TMS_87	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2033.23
Gas Chromatography	D-Psicose_TMS_88	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1420.25
Gas Chromatography	D-Psicose_TMS_89	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1332.45
Gas Chromatography	D-Psicose_TMS_90	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1718.73
Gas Chromatography	D-Psicose_TMS_91	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2019.8
Gas Chromatography	D-Psicose_TMS_92	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2247.14
Gas Chromatography	D-Psicose_TMS_93	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-23	2719.19
Gas Chromatography	D-Psicose_TMS_94	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2076.9
Gas Chromatography	D-Psicose_TMS_95	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1185.74

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Bacteroidetes	1	Human feces; Human saliva	Microbial culture
Bacteria/Eubacteria	Actinobacteria	5	Human ; Human feces; Human saliva; Human mucosa; Human supragingival plaque	Microbial culture
Bacteria/Eubacteria	Proteobacteria	3	Human feces
Bacteria/Eubacteria	Firmicutes	2	Human feces
Bacteria	Proteobacteria	1	Human feces
Bacteria/Eubacteria	Thermotogae	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

PSICOSE

BiGG ID

Not Available

Wikipedia Link

Psicose

METLIN ID

Not Available

PubChem Compound

90008

PDB ID

Not Available

ChEBI ID

27605

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Payne AN, Chassard C, Lacroix C: Gut microbial adaptation to dietary consumption of fructose, artificial sweeteners and sugar alcohols: implications for host-microbe interactions contributing to obesity. Obes Rev. 2012 Sep;13(9):799-809. doi: 10.1111/j.1467-789X.2012.01009.x. Epub 2012 Jun 11. [PubMed:22686435 ]

Showing metabocard for D-Psicose (MMDBc0000290)

MOL for #<Metabolite:0x00007f9af31645a0>

3D MOL for #<Metabolite:0x00007f9af31645a0>

3D SDF for #<Metabolite:0x00007f9af31645a0>

3D-SDF for #<Metabolite:0x00007f9af31645a0>

PDB for #<Metabolite:0x00007f9af31645a0>

3D PDB for #<Metabolite:0x00007f9af31645a0>

SMILES for #<Metabolite:0x00007f9af31645a0>

INCHI for #<Metabolite:0x00007f9af31645a0>

Structure for #<Metabolite:0x00007f9af31645a0>

3D Structure for #<Metabolite:0x00007f9af31645a0>