MiMeDB: Showing metabocard for scyllo-Inosose (MMDBc0053703)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-05-16 21:32:10 UTC

Update Date

2025-10-07 16:08:19 UTC

Metabolite ID

MMDBc0053703

Metabolite Identification

Common Name

scyllo-Inosose

Description

scyllo-Inosose is a cyclitol and a member of the carbohydrate chemical class. It is structurally characterized as a hexose derivative, specifically a tetrahydroxycyclohexanone, which plays a crucial role in various biochemical pathways. Scyllo-Inosose is involved in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, such as kanamycin and neomycin, where it acts as an important precursor (PMID:33577648 ). The synthesis of 2-deoxy-scyllo-inosose (2-DOI) from d-glucose 6-phosphate is catalyzed by the enzyme 2-deoxy-scyllo-inosose synthase (DOIS) in producer microorganisms (PMID:33577648 ). Additionally, 2-deoxy-4-epi-scyllo-inosose (DEI), a derivative of scyllo-Inosose, is produced by the enzyme EboD in certain bacteria and algae, indicating its metabolic significance in diverse organisms (PMID:39404639 ). Furthermore, recombinant strains of Saccharomyces cerevisiae and Bacillus subtilis have been engineered to enhance the biosynthesis of 2-DOI, showcasing its potential applications in biotechnology (PMID:32670790 ; PMID:30319595 ). Overall, scyllo-Inosose and its derivatives are integral to various metabolic pathways, particularly in antibiotic biosynthesis.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05041405592D          

 17 17  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1468    1.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  1  7  1  6  0  0  0
  2  8  1  1  0  0  0
  3  9  1  1  0  0  0
  4 10  1  6  0  0  0
  5 11  1  6  0  0  0
 12  6  2  0  0  0  0
  1 13  1  1  0  0  0
  2 14  1  6  0  0  0
  3 15  1  6  0  0  0
  4 16  1  1  0  0  0
  5 17  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0053703

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5-

> <INCHI_KEY>
VYEGBDHSGHXOGT-HYFGLKJPSA-N

> <FORMULA>
C6H10O6

> <MOLECULAR_WEIGHT>
178.14

> <EXACT_MASS>
178.047738052

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
15.221991121566234

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexan-1-one

> <ALOGPS_LOGP>
-2.21

> <JCHEM_LOGP>
-3.1668334776666667

> <ALOGPS_LOGS>
0.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.7744937970376

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.783808682585683

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6568326275846976

> <JCHEM_POLAR_SURFACE_AREA>
118.22

> <JCHEM_REFRACTIVITY>
35.0083

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.93e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
inosose

> <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
HETATM   16  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2    3    7   13                                             
CONECT    2    1    4    8   14                                             
CONECT    3    1    5    9   15                                             
CONECT    4    2    6   10   16                                             
CONECT    5    3    6   11   17                                             
CONECT    6    4    5   12                                                  
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    1                                                            
CONECT   14    2                                                            
CONECT   15    3                                                            
CONECT   16    4                                                            
CONECT   17    5                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

Synonyms

Value	Source
2-Inosose	ChEBI
Scyllo-inosose	ChEBI

Molecular Formula

C₆H₁₀O₆

Average Mass

178.14

Monoisotopic Mass

178.047738052

IUPAC Name

(2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexan-1-one

Traditional Name

inosose

CAS Registry Number

Not Available

SMILES

[H][C@]1(O)C(=O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4+,5-

InChI Key

VYEGBDHSGHXOGT-HYFGLKJPSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclitols and derivatives. Cyclitols and derivatives are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms. These of also include derivatives where the hydrogen atom of one or more of the hydroxyl groups is replaced with another atom.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Cyclitols and derivatives

Alternative Parents

Substituents

Cyclitol or derivatives
Cyclic ketone
Secondary alcohol
Ketone
Polyol
Organic oxide
Hydrocarbon derivative
Carbonyl group
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

pentahydroxycyclohexanone (CHEBI:17811 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	393 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-3.2	ChemAxon
logS	0.34	ALOGPS
pKa (Strongest Acidic)	8.78	ChemAxon
pKa (Strongest Basic)	-3.7	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	0	ChemAxon
Refractivity	35.01 m³·mol⁻¹	ChemAxon
Polarizability	15.22 Å³	ChemAxon
Number of Rings	1	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_2_10) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-b9df6511e13f2a7b4a3f	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-0900000000-75ff32f81a12dfe8a536	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08i3-9600000000-a7c33130a4776a7da73d	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-0900000000-6e6b9f88f495eed1f647	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-0900000000-b8061913e57903560a5b	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a6r-9200000000-146b29fb3f739497d563	2019-02-23	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	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)	2025-10-24	366.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	266.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	43.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	264.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	281.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	342.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	808.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	530.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	922.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	172.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	320.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	195.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	31.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	352.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	626.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	77.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	255.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	902.3
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	618.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	scyllo-Inosose_TMS_1	C[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1850.65
Gas Chromatography	scyllo-Inosose_TMS_2	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2312.01
Gas Chromatography	scyllo-Inosose_TMS_3	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2218.33
Gas Chromatography	scyllo-Inosose_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)C(=O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2135.45
Gas Chromatography	scyllo-Inosose_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](O)C(=O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2205.81
Gas Chromatography	scyllo-Inosose_TMS_6	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1927.17
Gas Chromatography	scyllo-Inosose_TMS_7	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1799.93
Gas Chromatography	scyllo-Inosose_TMS_8	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2837.24
Gas Chromatography	scyllo-Inosose_TMS_9	C[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2239.12
Gas Chromatography	scyllo-Inosose_TMS_10	C[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1992.02
Gas Chromatography	scyllo-Inosose_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(=O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2026.66
Gas Chromatography	scyllo-Inosose_TMS_12	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1952.27
Gas Chromatography	scyllo-Inosose_TMS_13	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1852.06
Gas Chromatography	scyllo-Inosose_TMS_14	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2172.9
Gas Chromatography	scyllo-Inosose_TMS_15	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2201.23
Gas Chromatography	scyllo-Inosose_TMS_16	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1281.33
Gas Chromatography	scyllo-Inosose_TMS_17	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2750.1
Gas Chromatography	scyllo-Inosose_TMS_18	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2068.8
Gas Chromatography	scyllo-Inosose_TMS_19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[C@@H]1O	standard non polar	2025-10-24	2161.97
Gas Chromatography	scyllo-Inosose_TMS_20	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2176.58
Gas Chromatography	scyllo-Inosose_TMS_21	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1995.62
Gas Chromatography	scyllo-Inosose_TMS_22	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2183.21
Gas Chromatography	scyllo-Inosose_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)C(=O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2045.27
Gas Chromatography	scyllo-Inosose_TMS_24	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1497.09
Gas Chromatography	scyllo-Inosose_TMS_25	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2307.23
Gas Chromatography	scyllo-Inosose_TMS_26	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1821.37
Gas Chromatography	scyllo-Inosose_TMS_27	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1907.57
Gas Chromatography	scyllo-Inosose_TMS_28	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1576.84
Gas Chromatography	scyllo-Inosose_TMS_29	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2527.67
Gas Chromatography	scyllo-Inosose_TMS_30	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2368.81
Gas Chromatography	scyllo-Inosose_TMS_31	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2602.56
Gas Chromatography	scyllo-Inosose_TMS_32	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1736.0
Gas Chromatography	scyllo-Inosose_TMS_33	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1344.0
Gas Chromatography	scyllo-Inosose_TMS_34	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2152.11
Gas Chromatography	scyllo-Inosose_TMS_35	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2448.85
Gas Chromatography	scyllo-Inosose_TMS_36	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1719.53
Gas Chromatography	scyllo-Inosose_TMS_37	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(=O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1688.98
Gas Chromatography	scyllo-Inosose_TMS_38	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1305.45
Gas Chromatography	scyllo-Inosose_TMS_39	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1647.66
Gas Chromatography	scyllo-Inosose_TMS_40	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1919.84
Gas Chromatography	scyllo-Inosose_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@@H]1O	standard non polar	2025-10-24	1291.71
Gas Chromatography	scyllo-Inosose_TMS_42	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1980.82
Gas Chromatography	scyllo-Inosose_TMS_43	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2105.88
Gas Chromatography	scyllo-Inosose_TMS_44	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1639.73
Gas Chromatography	scyllo-Inosose_TMS_45	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1837.84
Gas Chromatography	scyllo-Inosose_TMS_46	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1981.13
Gas Chromatography	scyllo-Inosose_TMS_47	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2027.04
Gas Chromatography	scyllo-Inosose_TMS_48	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1683.01
Gas Chromatography	scyllo-Inosose_TMS_49	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1857.2
Gas Chromatography	scyllo-Inosose_TMS_50	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1968.06
Gas Chromatography	scyllo-Inosose_TMS_51	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2036.56
Gas Chromatography	scyllo-Inosose_TMS_52	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1637.15
Gas Chromatography	scyllo-Inosose_TMS_53	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2063.54
Gas Chromatography	scyllo-Inosose_TMS_54	C[Si](C)(C)O[C@@H]1C(=O)[C@H](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	2025-10-24	3253.81
Gas Chromatography	scyllo-Inosose_TMS_55	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1617.7
Gas Chromatography	scyllo-Inosose_TMS_56	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1839.57
Gas Chromatography	scyllo-Inosose_TMS_57	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1861.31
Gas Chromatography	scyllo-Inosose_TMS_58	C[Si](C)(C)O[C@@H]1C(=O)[C@H](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	2025-10-24	1831.87
Gas Chromatography	scyllo-Inosose_TMS_59	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2354.28
Gas Chromatography	scyllo-Inosose_TMS_60	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2004.5
Gas Chromatography	scyllo-Inosose_TMS_61	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1808.94
Gas Chromatography	scyllo-Inosose_TMS_62	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1962.02
Gas Chromatography	scyllo-Inosose_TMS_63	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1603.12
Gas Chromatography	scyllo-Inosose_TMS_64	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1888.46
Gas Chromatography	scyllo-Inosose_TMS_65	C[Si](C)(C)OC1=C(O)[C@H](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	2025-10-24	2262.39
Gas Chromatography	scyllo-Inosose_TMS_66	C[Si](C)(C)OC1=C(O)[C@H](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	2025-10-24	1593.42
Gas Chromatography	scyllo-Inosose_TMS_67	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1825.63
Gas Chromatography	scyllo-Inosose_TMS_68	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1904.68
Gas Chromatography	scyllo-Inosose_TMS_69	C[Si](C)(C)OC1=C(O)[C@@H](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	2025-10-24	2326.33
Gas Chromatography	scyllo-Inosose_TMS_70	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2388.69
Gas Chromatography	scyllo-Inosose_TMS_71	C[Si](C)(C)OC1=C(O)[C@@H](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	2025-10-24	1263.21
Gas Chromatography	scyllo-Inosose_TMS_72	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2451.66
Gas Chromatography	scyllo-Inosose_TMS_73	C[Si](C)(C)OC1=C(O)[C@@H](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	2025-10-24	840.089
Gas Chromatography	scyllo-Inosose_TMS_74	C[Si](C)(C)OC1=C(O)[C@H](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	2025-10-24	1500.98
Gas Chromatography	scyllo-Inosose_TMS_75	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1450.93
Gas Chromatography	scyllo-Inosose_TMS_76	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](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	2025-10-24	2176.4
Gas Chromatography	scyllo-Inosose_TMS_77	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1904.53
Gas Chromatography	scyllo-Inosose_TMS_78	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](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	2025-10-24	1394.88
Gas Chromatography	scyllo-Inosose_TMS_79	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](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	2025-10-24	1015.29
Gas Chromatography	scyllo-Inosose_TMS_80	C[Si](C)(C)OC1=C(O)[C@H](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	2025-10-24	1604.41
Gas Chromatography	scyllo-Inosose_TMS_81	C[Si](C)(C)OC1=C(O)[C@@H](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	2025-10-24	2586.08
Gas Chromatography	scyllo-Inosose_TMS_82	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](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	2025-10-24	1215.18
Gas Chromatography	scyllo-Inosose_TMS_83	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](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	2025-10-24	1867.96
Gas Chromatography	scyllo-Inosose_TMS_1	C[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2637.13
Gas Chromatography	scyllo-Inosose_TMS_2	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1993.76
Gas Chromatography	scyllo-Inosose_TMS_3	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1925.83
Gas Chromatography	scyllo-Inosose_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)C(=O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2009.35
Gas Chromatography	scyllo-Inosose_TMS_5	C[Si](C)(C)O[C@@H]1[C@@H](O)C(=O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2437.95
Gas Chromatography	scyllo-Inosose_TMS_6	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2242.61
Gas Chromatography	scyllo-Inosose_TMS_7	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1843.44
Gas Chromatography	scyllo-Inosose_TMS_8	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2411.81
Gas Chromatography	scyllo-Inosose_TMS_9	C[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1733.31
Gas Chromatography	scyllo-Inosose_TMS_10	C[Si](C)(C)O[C@H]1C(=O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2486.16
Gas Chromatography	scyllo-Inosose_TMS_11	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(=O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1996.82
Gas Chromatography	scyllo-Inosose_TMS_12	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2287.64
Gas Chromatography	scyllo-Inosose_TMS_13	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1937.64
Gas Chromatography	scyllo-Inosose_TMS_14	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2517.24
Gas Chromatography	scyllo-Inosose_TMS_15	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2304.07
Gas Chromatography	scyllo-Inosose_TMS_16	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1805.37
Gas Chromatography	scyllo-Inosose_TMS_17	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2008.52
Gas Chromatography	scyllo-Inosose_TMS_18	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2427.1
Gas Chromatography	scyllo-Inosose_TMS_19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[C@@H]1O	standard polar	2025-10-24	1959.69
Gas Chromatography	scyllo-Inosose_TMS_20	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2452.89
Gas Chromatography	scyllo-Inosose_TMS_21	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1819.41
Gas Chromatography	scyllo-Inosose_TMS_22	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2411.37
Gas Chromatography	scyllo-Inosose_TMS_23	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)C(=O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2428.87
Gas Chromatography	scyllo-Inosose_TMS_24	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1869.73
Gas Chromatography	scyllo-Inosose_TMS_25	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2399.47
Gas Chromatography	scyllo-Inosose_TMS_26	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2137.0
Gas Chromatography	scyllo-Inosose_TMS_27	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2157.89
Gas Chromatography	scyllo-Inosose_TMS_28	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1989.52
Gas Chromatography	scyllo-Inosose_TMS_29	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1959.53
Gas Chromatography	scyllo-Inosose_TMS_30	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1526.96
Gas Chromatography	scyllo-Inosose_TMS_31	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1781.06
Gas Chromatography	scyllo-Inosose_TMS_32	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2059.72
Gas Chromatography	scyllo-Inosose_TMS_33	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1840.64
Gas Chromatography	scyllo-Inosose_TMS_34	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(=O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2319.87
Gas Chromatography	scyllo-Inosose_TMS_35	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1364.55
Gas Chromatography	scyllo-Inosose_TMS_36	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1777.96
Gas Chromatography	scyllo-Inosose_TMS_37	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)C(=O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1393.31
Gas Chromatography	scyllo-Inosose_TMS_38	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2147.6
Gas Chromatography	scyllo-Inosose_TMS_39	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2114.14
Gas Chromatography	scyllo-Inosose_TMS_40	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1699.5
Gas Chromatography	scyllo-Inosose_TMS_41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@@H]1O	standard polar	2025-10-24	2584.19
Gas Chromatography	scyllo-Inosose_TMS_42	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1860.42
Gas Chromatography	scyllo-Inosose_TMS_43	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1646.11
Gas Chromatography	scyllo-Inosose_TMS_44	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2070.4
Gas Chromatography	scyllo-Inosose_TMS_45	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1555.47
Gas Chromatography	scyllo-Inosose_TMS_46	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2395.26
Gas Chromatography	scyllo-Inosose_TMS_47	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2300.66
Gas Chromatography	scyllo-Inosose_TMS_48	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2531.5
Gas Chromatography	scyllo-Inosose_TMS_49	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1474.06
Gas Chromatography	scyllo-Inosose_TMS_50	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1635.59
Gas Chromatography	scyllo-Inosose_TMS_51	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2106.27
Gas Chromatography	scyllo-Inosose_TMS_52	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2091.89
Gas Chromatography	scyllo-Inosose_TMS_53	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1902.67
Gas Chromatography	scyllo-Inosose_TMS_54	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2048.95
Gas Chromatography	scyllo-Inosose_TMS_55	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2603.66
Gas Chromatography	scyllo-Inosose_TMS_56	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1909.19
Gas Chromatography	scyllo-Inosose_TMS_57	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2514.1
Gas Chromatography	scyllo-Inosose_TMS_58	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1244.17
Gas Chromatography	scyllo-Inosose_TMS_59	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2622.39
Gas Chromatography	scyllo-Inosose_TMS_60	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1761.94
Gas Chromatography	scyllo-Inosose_TMS_61	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2173.82
Gas Chromatography	scyllo-Inosose_TMS_62	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2301.1
Gas Chromatography	scyllo-Inosose_TMS_63	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1583.0
Gas Chromatography	scyllo-Inosose_TMS_64	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2467.51
Gas Chromatography	scyllo-Inosose_TMS_65	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1271.09
Gas Chromatography	scyllo-Inosose_TMS_66	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2140.55
Gas Chromatography	scyllo-Inosose_TMS_67	C[Si](C)(C)OC1=C(O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2869.41
Gas Chromatography	scyllo-Inosose_TMS_68	C[Si](C)(C)O[C@@H]1C(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2359.32
Gas Chromatography	scyllo-Inosose_TMS_69	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2539.25
Gas Chromatography	scyllo-Inosose_TMS_70	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1951.11
Gas Chromatography	scyllo-Inosose_TMS_71	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2076.79
Gas Chromatography	scyllo-Inosose_TMS_72	C[Si](C)(C)OC1=C(O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1262.38
Gas Chromatography	scyllo-Inosose_TMS_73	C[Si](C)(C)OC1=C(O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1248.94
Gas Chromatography	scyllo-Inosose_TMS_74	C[Si](C)(C)OC1=C(O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1619.99
Gas Chromatography	scyllo-Inosose_TMS_75	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2607.83
Gas Chromatography	scyllo-Inosose_TMS_76	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1704.68
Gas Chromatography	scyllo-Inosose_TMS_77	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3055.48
Gas Chromatography	scyllo-Inosose_TMS_78	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2591.52
Gas Chromatography	scyllo-Inosose_TMS_79	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1508.95
Gas Chromatography	scyllo-Inosose_TMS_80	C[Si](C)(C)OC1=C(O)[C@H](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	2025-10-24	1817.45
Gas Chromatography	scyllo-Inosose_TMS_81	C[Si](C)(C)OC1=C(O)[C@@H](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	2025-10-24	1486.99
Gas Chromatography	scyllo-Inosose_TMS_82	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H](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	2025-10-24	2368.54
Gas Chromatography	scyllo-Inosose_TMS_83	C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@H](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	2025-10-24	2489.76

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
Bacteria/Eubacteria	Firmicutes	23	Human feces; Human ; Human supragingival plaque
Bacteria/Eubacteria	Proteobacteria	36	Pig ; Human ; Human feces
Bacteria/Eubacteria	Tenericutes	3	Pig
Bacteria/Eubacteria	Actinobacteria	20	Human ; Human feces
Bacteria/Eubacteria	Thermotogae	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

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

C00691

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

17811

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for scyllo-Inosose (MMDBc0053703)

MOL for #<Metabolite:0x00007f9a9ffb2d18>

3D MOL for #<Metabolite:0x00007f9a9ffb2d18>

3D SDF for #<Metabolite:0x00007f9a9ffb2d18>

3D-SDF for #<Metabolite:0x00007f9a9ffb2d18>

PDB for #<Metabolite:0x00007f9a9ffb2d18>

3D PDB for #<Metabolite:0x00007f9a9ffb2d18>

SMILES for #<Metabolite:0x00007f9a9ffb2d18>

INCHI for #<Metabolite:0x00007f9a9ffb2d18>

Structure for #<Metabolite:0x00007f9a9ffb2d18>

3D Structure for #<Metabolite:0x00007f9a9ffb2d18>