MiMeDB: Showing metabocard for Sedoheptulose (MMDBc0000421)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:37:23 UTC

Update Date

2024-04-30 19:32:21 UTC

Metabolite ID

MMDBc0000421

Metabolite Identification

Common Name

Sedoheptulose

Description

Sedoheptulose (CAS: 3019-74-7) is a ketoheptose, a monosaccharide with seven carbon atoms and a ketone functional group. It is one of the few heptoses found in nature. Sedoheptulose is a seven-carbon ketose sugar originally found in Sedum spectabile, a common perennial garden plant. Later it was shown to be widely distributed in the plants of the Crassulaceae family. The Crassulaceae, or orpine family, is a family of dicotyledons. They store water in their succulent leaves. They are found worldwide, but mostly occur in the northern hemisphere and southern Africa, typically in dry and/or cold areas where water may be scarce. The family includes about 1,400 species in 33 genera. As a result, this sugar is often found to be part of the human diet. This sugar, D-sedoheptulose, is a significant intermediary compound in the cyclic regeneration of D-ribulose. It also plays an important role as a transitory compound in the cyclic regeneration of D-ribulose for carbon dioxide fixation in plant photosynthesis.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309201916212D          

 14 14  0  0  0  0            999 V2000
   -0.3099    0.3287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3099   -0.4963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0245   -0.9089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7391   -0.4963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7390    0.3289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0245    0.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510    0.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4022   -0.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -1.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4511   -0.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1629    0.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043    0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1191    0.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3106    1.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  2  8  1  1  0  0  0
  3  9  1  6  0  0  0
  4 10  1  6  0  0  0
  7 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000421

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7-/m1/s1

> <INCHI_KEY>
HAIWUXASLYEWLM-BNWJMWRWSA-N

> <FORMULA>
C7H14O7

> <MOLECULAR_WEIGHT>
210.1819

> <EXACT_MASS>
210.073952802

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
18.789543872812335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol

> <ALOGPS_LOGP>
-2.60

> <JCHEM_LOGP>
-3.38833426

> <ALOGPS_LOGS>
0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.56502527822953

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.28360347326985

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9813603412699186

> <JCHEM_POLAR_SURFACE_AREA>
130.61

> <JCHEM_REFRACTIVITY>
42.32329999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.16e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-D-sedoheptulopyranose

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-SEP-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-SEP-19         0                                  
HETATM    1  C   UNK     0      -0.578   0.614   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.578  -0.926   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.912  -1.697   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.246  -0.926   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.246   0.614   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.912   1.382   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.575   1.382   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.751  -1.694   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -1.912  -3.232   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -4.575  -1.694   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -5.904   0.614   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.755   1.384   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.089   0.615   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -0.580   2.154   0.000  0.00  0.00           O+0
CONECT    1    2    6   12   14                                             
CONECT    2    1    3    8                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5   11                                                       
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    7                                                            
CONECT   12    1   13                                                       
CONECT   13   12                                                            
CONECT   14    1                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

COMPND    HMDB0003219
HETATM    1  O1  UNL     1       3.240  -1.470   0.088  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.443  -0.575   0.801  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.519   0.178  -0.169  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.754  -0.775  -0.788  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.533  -0.888  -0.303  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.496  -1.023   1.084  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.159  -2.106  -0.935  1.00  0.00           C  
HETATM    8  O4  UNL     1      -2.478  -2.233  -0.446  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.237   0.385  -0.637  1.00  0.00           C  
HETATM   10  O5  UNL     1      -2.596   0.356  -0.397  1.00  0.00           O  
HETATM   11  C6  UNL     1      -0.615   1.466   0.214  1.00  0.00           C  
HETATM   12  O6  UNL     1      -0.839   2.708  -0.421  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.813   1.260   0.525  1.00  0.00           C  
HETATM   14  O7  UNL     1       1.494   2.475   0.271  1.00  0.00           O  
HETATM   15  H1  UNL     1       2.719  -1.707  -0.732  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.822  -1.204   1.500  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.062   0.105   1.385  1.00  0.00           H  
HETATM   18  H4  UNL     1       2.224   0.587  -0.952  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.406  -0.734   1.407  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.629  -3.010  -0.571  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.116  -2.112  -2.019  1.00  0.00           H  
HETATM   22  H8  UNL     1      -2.392  -2.573   0.477  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.051   0.684  -1.705  1.00  0.00           H  
HETATM   24  H10 UNL     1      -3.044   0.934  -1.086  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.235   1.517   1.150  1.00  0.00           H  
HETATM   26  H12 UNL     1      -1.117   3.394   0.218  1.00  0.00           H  
HETATM   27  H13 UNL     1       0.928   1.116   1.640  1.00  0.00           H  
HETATM   28  H14 UNL     1       0.922   3.246   0.401  1.00  0.00           H  
CONECT    1    2   15
CONECT    2    3   16   17
CONECT    3    4   13   18
CONECT    4    5
CONECT    5    6    7    9
CONECT    6   19
CONECT    7    8   20   21
CONECT    8   22
CONECT    9   10   11   23
CONECT   10   24
CONECT   11   12   13   25
CONECT   12   26
CONECT   13   14   27
CONECT   14   28
END

Synonyms

Value	Source
beta-D-Sedoheptulose	ChEBI
D-Altro-heptulose	ChEBI
D-Sedoheptulose	ChEBI
Volemulose	ChEBI
b-D-Sedoheptulose	Generator
Β-D-sedoheptulose	Generator
b-D-Sedoheptulopyranose	HMDB
Β-D-sedoheptulopyranose	HMDB
D-Altroheptulose	HMDB
beta-D-Sedoheptulopyranose	HMDB
beta-D-Altro-2-heptulopyranose	HMDB
Β-D-altro-2-heptulopyranose	HMDB
Sedoheptulose	HMDB

Molecular Formula

C₇H₁₄O₇

Average Mass

210.1819

Monoisotopic Mass

210.073952802

IUPAC Name

(2R,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol

Traditional Name

β-D-sedoheptulopyranose

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7-/m1/s1

InChI Key

HAIWUXASLYEWLM-BNWJMWRWSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
C-glycosyl compound
Oxane
Monosaccharide
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

sedoheptulose (CHEBI:27520 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	916 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.4	ChemAxon
logS	0.64	ALOGPS
pKa (Strongest Acidic)	10.28	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	130.61 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	42.32 m³·mol⁻¹	ChemAxon
Polarizability	18.79 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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 (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-2290000000-b75209a2ded2569fd90d	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9110000000-469f32ec283b1ab3663a	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-e748c71d0610471789b6	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0490000000-2c85b0b40e4eb7c699e1	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9330000000-154c47472db8afc2b7be	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0c29-9000000000-947d80d103b7151973d4	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	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	366.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	318.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	50.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	237.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	303.3
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	316.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	836.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	686.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	932.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	167.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	377.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	183.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	24.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	404.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	620.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	80.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	272.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	949.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	628.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Sedoheptulose_TMS_1	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1845.36
Gas Chromatography	Sedoheptulose_TMS_2	C[Si](C)(C)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1979.6
Gas Chromatography	Sedoheptulose_TMS_3	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1821.15
Gas Chromatography	Sedoheptulose_TMS_4	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@]1(O)CO	standard non polar	2025-10-23	2698.42
Gas Chromatography	Sedoheptulose_TMS_5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CO)O[C@H](CO)[C@H]1O	standard non polar	2025-10-23	2186.43
Gas Chromatography	Sedoheptulose_TMS_6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@](O)(CO)O[C@@H]1CO	standard non polar	2025-10-23	2607.72
Gas Chromatography	Sedoheptulose_TMS_7	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	2166.76
Gas Chromatography	Sedoheptulose_TMS_8	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	2132.08
Gas Chromatography	Sedoheptulose_TMS_9	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1826.39
Gas Chromatography	Sedoheptulose_TMS_10	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1862.01
Gas Chromatography	Sedoheptulose_TMS_11	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1787.81
Gas Chromatography	Sedoheptulose_TMS_12	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1868.92
Gas Chromatography	Sedoheptulose_TMS_13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@](CO)(O[Si](C)(C)C)O[C@@H]1CO	standard non polar	2025-10-23	2306.2
Gas Chromatography	Sedoheptulose_TMS_14	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard non polar	2025-10-23	2093.0
Gas Chromatography	Sedoheptulose_TMS_15	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@]1(CO)O[Si](C)(C)C	standard non polar	2025-10-23	2604.09
Gas Chromatography	Sedoheptulose_TMS_16	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1843.56
Gas Chromatography	Sedoheptulose_TMS_17	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2488.52
Gas Chromatography	Sedoheptulose_TMS_18	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1621.65
Gas Chromatography	Sedoheptulose_TMS_19	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@]1(O)CO	standard non polar	2025-10-23	1399.86
Gas Chromatography	Sedoheptulose_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2124.51
Gas Chromatography	Sedoheptulose_TMS_21	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CO)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1992.73
Gas Chromatography	Sedoheptulose_TMS_22	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1822.76
Gas Chromatography	Sedoheptulose_TMS_23	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1501.14
Gas Chromatography	Sedoheptulose_TMS_24	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1410.77
Gas Chromatography	Sedoheptulose_TMS_25	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1874.62
Gas Chromatography	Sedoheptulose_TMS_26	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1794.46
Gas Chromatography	Sedoheptulose_TMS_27	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1302.67
Gas Chromatography	Sedoheptulose_TMS_28	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2162.2
Gas Chromatography	Sedoheptulose_TMS_29	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2011.07
Gas Chromatography	Sedoheptulose_TMS_30	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2420.13
Gas Chromatography	Sedoheptulose_TMS_31	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2287.88
Gas Chromatography	Sedoheptulose_TMS_32	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1730.06
Gas Chromatography	Sedoheptulose_TMS_33	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2266.37
Gas Chromatography	Sedoheptulose_TMS_34	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1438.36
Gas Chromatography	Sedoheptulose_TMS_35	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2204.65
Gas Chromatography	Sedoheptulose_TMS_36	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1591.35
Gas Chromatography	Sedoheptulose_TMS_37	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@]1(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1530.67
Gas Chromatography	Sedoheptulose_TMS_38	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1446.43
Gas Chromatography	Sedoheptulose_TMS_39	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1708.82
Gas Chromatography	Sedoheptulose_TMS_40	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1219.89
Gas Chromatography	Sedoheptulose_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)CO	standard non polar	2025-10-23	1499.87
Gas Chromatography	Sedoheptulose_TMS_42	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1968.07
Gas Chromatography	Sedoheptulose_TMS_43	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1859.32
Gas Chromatography	Sedoheptulose_TMS_44	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2043.34
Gas Chromatography	Sedoheptulose_TMS_45	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1496.09
Gas Chromatography	Sedoheptulose_TMS_46	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1598.93
Gas Chromatography	Sedoheptulose_TMS_47	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1189.19
Gas Chromatography	Sedoheptulose_TMS_48	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1694.81
Gas Chromatography	Sedoheptulose_TMS_49	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2066.66
Gas Chromatography	Sedoheptulose_TMS_50	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1971.4
Gas Chromatography	Sedoheptulose_TMS_51	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2124.57
Gas Chromatography	Sedoheptulose_TMS_52	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2569.69
Gas Chromatography	Sedoheptulose_TMS_53	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1386.97
Gas Chromatography	Sedoheptulose_TMS_54	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2056.67
Gas Chromatography	Sedoheptulose_TMS_55	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)O[Si](C)(C)C	standard non polar	2025-10-23	1235.35
Gas Chromatography	Sedoheptulose_TMS_56	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	694.099
Gas Chromatography	Sedoheptulose_TMS_57	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2058.72
Gas Chromatography	Sedoheptulose_TMS_58	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1940.5
Gas Chromatography	Sedoheptulose_TMS_59	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2326.49
Gas Chromatography	Sedoheptulose_TMS_60	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2120.23
Gas Chromatography	Sedoheptulose_TMS_61	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1426.19
Gas Chromatography	Sedoheptulose_TMS_62	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1147.29
Gas Chromatography	Sedoheptulose_TMS_63	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	908.171
Gas Chromatography	Sedoheptulose_TMS_1	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2406.57
Gas Chromatography	Sedoheptulose_TMS_2	C[Si](C)(C)O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2244.72
Gas Chromatography	Sedoheptulose_TMS_3	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1741.16
Gas Chromatography	Sedoheptulose_TMS_4	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@]1(O)CO	standard polar	2025-10-23	1656.08
Gas Chromatography	Sedoheptulose_TMS_5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CO)O[C@H](CO)[C@H]1O	standard polar	2025-10-23	2208.05
Gas Chromatography	Sedoheptulose_TMS_6	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@](O)(CO)O[C@@H]1CO	standard polar	2025-10-23	2107.1
Gas Chromatography	Sedoheptulose_TMS_7	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2298.83
Gas Chromatography	Sedoheptulose_TMS_8	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1976.23
Gas Chromatography	Sedoheptulose_TMS_9	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2207.18
Gas Chromatography	Sedoheptulose_TMS_10	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1982.94
Gas Chromatography	Sedoheptulose_TMS_11	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2108.74
Gas Chromatography	Sedoheptulose_TMS_12	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1571.25
Gas Chromatography	Sedoheptulose_TMS_13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@](CO)(O[Si](C)(C)C)O[C@@H]1CO	standard polar	2025-10-23	2752.22
Gas Chromatography	Sedoheptulose_TMS_14	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O	standard polar	2025-10-23	2020.85
Gas Chromatography	Sedoheptulose_TMS_15	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@]1(CO)O[Si](C)(C)C	standard polar	2025-10-23	1887.22
Gas Chromatography	Sedoheptulose_TMS_16	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2261.63
Gas Chromatography	Sedoheptulose_TMS_17	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2335.43
Gas Chromatography	Sedoheptulose_TMS_18	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1577.81
Gas Chromatography	Sedoheptulose_TMS_19	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@]1(O)CO	standard polar	2025-10-23	2111.67
Gas Chromatography	Sedoheptulose_TMS_20	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2050.56
Gas Chromatography	Sedoheptulose_TMS_21	C[Si](C)(C)O[C@H]1[C@H](O)[C@@](O)(CO)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2489.31
Gas Chromatography	Sedoheptulose_TMS_22	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1651.11
Gas Chromatography	Sedoheptulose_TMS_23	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2412.28
Gas Chromatography	Sedoheptulose_TMS_24	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1845.59
Gas Chromatography	Sedoheptulose_TMS_25	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2265.33
Gas Chromatography	Sedoheptulose_TMS_26	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2090.46
Gas Chromatography	Sedoheptulose_TMS_27	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1463.55
Gas Chromatography	Sedoheptulose_TMS_28	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2483.16
Gas Chromatography	Sedoheptulose_TMS_29	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1503.35
Gas Chromatography	Sedoheptulose_TMS_30	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2019.48
Gas Chromatography	Sedoheptulose_TMS_31	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2175.64
Gas Chromatography	Sedoheptulose_TMS_32	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1631.44
Gas Chromatography	Sedoheptulose_TMS_33	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2445.57
Gas Chromatography	Sedoheptulose_TMS_34	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2578.68
Gas Chromatography	Sedoheptulose_TMS_35	C[Si](C)(C)O[C@H]1[C@H](O)[C@](CO)(O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2092.93
Gas Chromatography	Sedoheptulose_TMS_36	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1949.29
Gas Chromatography	Sedoheptulose_TMS_37	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@]1(CO)O[Si](C)(C)C	standard polar	2025-10-23	2139.97
Gas Chromatography	Sedoheptulose_TMS_38	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2249.06
Gas Chromatography	Sedoheptulose_TMS_39	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1408.85
Gas Chromatography	Sedoheptulose_TMS_40	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2210.76
Gas Chromatography	Sedoheptulose_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@]1(O)CO	standard polar	2025-10-23	2101.25
Gas Chromatography	Sedoheptulose_TMS_42	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1758.55
Gas Chromatography	Sedoheptulose_TMS_43	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1637.1
Gas Chromatography	Sedoheptulose_TMS_44	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1319.74
Gas Chromatography	Sedoheptulose_TMS_45	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1735.76
Gas Chromatography	Sedoheptulose_TMS_46	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1582.78
Gas Chromatography	Sedoheptulose_TMS_47	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2523.76
Gas Chromatography	Sedoheptulose_TMS_48	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1907.98
Gas Chromatography	Sedoheptulose_TMS_49	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2448.01
Gas Chromatography	Sedoheptulose_TMS_50	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2289.04
Gas Chromatography	Sedoheptulose_TMS_51	C[Si](C)(C)OC[C@H]1O[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2954.2
Gas Chromatography	Sedoheptulose_TMS_52	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2404.78
Gas Chromatography	Sedoheptulose_TMS_53	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2209.95
Gas Chromatography	Sedoheptulose_TMS_54	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1060.62
Gas Chromatography	Sedoheptulose_TMS_55	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@]1(CO)O[Si](C)(C)C	standard polar	2025-10-23	2952.55
Gas Chromatography	Sedoheptulose_TMS_56	C[Si](C)(C)OC[C@@]1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1495.81
Gas Chromatography	Sedoheptulose_TMS_57	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2793.55
Gas Chromatography	Sedoheptulose_TMS_58	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2418.06
Gas Chromatography	Sedoheptulose_TMS_59	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1929.54
Gas Chromatography	Sedoheptulose_TMS_60	C[Si](C)(C)OC[C@H]1O[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1853.71
Gas Chromatography	Sedoheptulose_TMS_61	C[Si](C)(C)OC[C@H]1O[C@](O)(CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2345.25
Gas Chromatography	Sedoheptulose_TMS_62	C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2419.86
Gas Chromatography	Sedoheptulose_TMS_63	C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3946.71

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces
Placenta

Tissue Locations

Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192420	Transketolase-like protein 1	Unknown	P51854	Homo sapiens
MMDBp0192422	Transaldolase	Enzyme	P37837	Homo sapiens
MMDBp0192425	Transketolase	Unknown	P29401	Homo sapiens
MMDBp0192803	Ketohexokinase	Enzyme	P50053	Homo sapiens
MMDBp0194056	Transketolase-like protein 2	Unknown	Q9H0I9	Homo sapiens
MMDBp0194072	Sedoheptulokinase	Enzyme	Q9UHJ6	Homo sapiens

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	Firmicutes	10	Human feces; Human ; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria/Eubacteria	Proteobacteria	2	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human mucosa; Human supragingival plaque; Human saliva; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB
Human Placenta	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	29808030

External Links

HMDB ID

HMDB0003219

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00001132

Chemspider ID

390207

KEGG Compound ID

C08355

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Sedoheptulose

METLIN ID

Not Available

PubChem Compound

441483

PDB ID

Not Available

ChEBI ID

27520

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Pitkanen E, Sahlstrom K: The occurrence of sedoheptulose in human urine. Ann Med Exp Biol Fenn. 1968;46(3):295-300. [PubMed:5731228 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Sedoheptulose (MMDBc0000421)

MOL for #<Metabolite:0x00005624c72424c0>

3D MOL for #<Metabolite:0x00005624c72424c0>

3D SDF for #<Metabolite:0x00005624c72424c0>

3D-SDF for #<Metabolite:0x00005624c72424c0>

PDB for #<Metabolite:0x00005624c72424c0>

3D PDB for #<Metabolite:0x00005624c72424c0>

SMILES for #<Metabolite:0x00005624c72424c0>

INCHI for #<Metabolite:0x00005624c72424c0>

Structure for #<Metabolite:0x00005624c72424c0>

3D Structure for #<Metabolite:0x00005624c72424c0>