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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-13 15:24:43 UTC
Update Date2021-09-14 15:47:34 UTC
HMDB IDHMDB0004256
Secondary Accession Numbers
  • HMDB04256
Metabolite Identification
Common Name7-Hydroxy-6-methyl-8-ribityl lumazine
Description7-Hydroxy-6-methyl-8-ribityl lumazine, also known as masuda's compound V or RL-6-me-7-OH, belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. In humans, 7-hydroxy-6-methyl-8-ribityl lumazine is involved in the riboflavin metabolism pathway. 7-Hydroxy-6-methyl-8-ribityl lumazine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 7-hydroxy-6-methyl-8-ribityl lumazine a potential biomarker for the consumption of these foods. 7-Hydroxy-6-methyl-8-ribityl lumazine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 7-Hydroxy-6-methyl-8-ribityl lumazine.
Structure
Data?1582752304
Synonyms
ValueSource
1-Deoxy-1-(3,4-dihydro-7-hydroxy-6-methyl-2,4-dioxo-8(2H)-pteridinyl)-D-ribitolChEBI
7-Hydroxy-6-methyl-8-D-ribityllumazineChEBI
Masuda's compound VChEBI
RL-6-Me-7-OHChEBI
7-OxolumazineKegg
6-Methyl-7-oxo-8-ribityllumazineKegg
CRMHMDB
Chemical FormulaC12H16N4O7
Average Molecular Weight328.278
Monoisotopic Molecular Weight328.101898886
IUPAC Name7-hydroxy-6-methyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,4,8-tetrahydropteridine-2,4-dione
Traditional Name7-hydroxy-6-methyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-pteridine-2,4-dione
CAS Registry NumberNot Available
SMILES
CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1
InChI Identifier
InChI=1S/C12H16N4O7/c1-4-11(22)16(2-5(18)8(20)6(19)3-17)9-7(13-4)10(21)15-12(23)14-9/h5-6,8,17-20,22H,2-3H2,1H3,(H,15,21,23)/t5-,6+,8-/m0/s1
InChI KeyCOXMGTTXHPRZBO-BBVRLYRLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassNot Available
Direct ParentPteridines and derivatives
Alternative Parents
Substituents
  • Pteridine
  • Pyrimidone
  • Pyrazine
  • Pyrimidine
  • Heteroaromatic compound
  • Vinylogous amide
  • Lactam
  • Secondary alcohol
  • Polyol
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary alcohol
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-4.193Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.85 g/LALOGPS
logP-2.1ALOGPS
logP-2.8ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)6.97ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area175.28 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity84.46 m³·mol⁻¹ChemAxon
Polarizability30.11 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+171.44231661259
DarkChem[M-H]-169.9131661259
DeepCCS[M+H]+177.00530932474
DeepCCS[M-H]-174.64730932474
DeepCCS[M-2H]-208.31630932474
DeepCCS[M+Na]+183.47930932474
AllCCS[M+H]+171.432859911
AllCCS[M+H-H2O]+168.432859911
AllCCS[M+NH4]+174.232859911
AllCCS[M+Na]+175.032859911
AllCCS[M-H]-171.132859911
AllCCS[M+Na-2H]-170.932859911
AllCCS[M+HCOO]-170.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
7-Hydroxy-6-methyl-8-ribityl lumazineCC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N13830.5Standard polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazineCC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N12182.3Standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazineCC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N13526.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
7-Hydroxy-6-methyl-8-ribityl lumazine,1TMS,isomer #1CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12922.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TMS,isomer #2CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12896.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TMS,isomer #3CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12890.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TMS,isomer #4CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12915.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TMS,isomer #5CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12917.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TMS,isomer #6CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N13049.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #1CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12796.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #10CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12786.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #11CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12781.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #12CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12905.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #13CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12829.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #14CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12928.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #15CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12937.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #2CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12781.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #3CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12798.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #4CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12802.7Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #5CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12950.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #6CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12790.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #7CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12807.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #8CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12803.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TMS,isomer #9CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12918.7Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #1CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N12744.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #10CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12865.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #11CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12744.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #12CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12739.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #13CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12843.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #14CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12765.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #15CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12847.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #16CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12845.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #17CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12749.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #18CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12838.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #19CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12830.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #2CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12777.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #20CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12862.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #3CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12760.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #4CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12867.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #5CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12753.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #6CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12739.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #7CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12863.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #8CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12756.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TMS,isomer #9CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12876.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #1CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12793.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #10CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12869.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #11CC1=C(O)N(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)C2=NC(=O)[NH]C(=O)C2=N12756.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #12CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12853.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #13CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12827.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #14CC1=C(O)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12850.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #15CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12846.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #2CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12760.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #3CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12872.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #4CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12771.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #5CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12899.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #6CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12877.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #7CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)[NH]C(=O)C2=N12765.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #8CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12885.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TMS,isomer #9CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12863.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TMS,isomer #1CC1=C(O[Si](C)(C)C)N(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)C2=NC(=O)[NH]C(=O)C2=N12829.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TMS,isomer #2CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12932.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TMS,isomer #3CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12899.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TMS,isomer #4CC1=C(O[Si](C)(C)C)N(C[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12913.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TMS,isomer #5CC1=C(O[Si](C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12907.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TMS,isomer #6CC1=C(O)N(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)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12886.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,6TMS,isomer #1CC1=C(O[Si](C)(C)C)N(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)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N12967.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,6TMS,isomer #1CC1=C(O[Si](C)(C)C)N(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)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N13069.2Standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,6TMS,isomer #1CC1=C(O[Si](C)(C)C)N(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)C2=NC(=O)N([Si](C)(C)C)C(=O)C2=N13441.3Standard polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TBDMS,isomer #1CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13126.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TBDMS,isomer #2CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13157.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TBDMS,isomer #3CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13136.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TBDMS,isomer #4CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13151.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TBDMS,isomer #5CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13163.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,1TBDMS,isomer #6CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13268.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #1CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13239.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #10CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13235.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #11CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13229.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #12CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13362.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #13CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13283.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #14CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13378.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #15CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13391.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #2CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13209.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #3CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13218.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #4CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13231.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #5CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13354.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #6CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13273.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #7CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13267.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #8CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13280.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,2TBDMS,isomer #9CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13387.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #1CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)[NH]C(=O)C2=N13371.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #10CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13509.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #11CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13385.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #12CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13377.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #13CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13533.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #14CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13407.7Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #15CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13530.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #16CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13547.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #17CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13381.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #18CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13508.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #19CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13499.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #2CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13365.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #20CC1=C(O)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13541.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #3CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13387.7Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #4CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13528.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #5CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13344.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #6CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13338.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #7CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13507.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #8CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13382.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,isomer #9CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13516.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #1CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13545.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #10CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13686.7Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #11CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13578.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #12CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13698.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #13CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13688.7Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #14CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13706.5Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #15CC1=C(O)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13690.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #2CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13527.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #3CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13689.1Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #4CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13542.4Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #5CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13697.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #6CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13707.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #7CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13536.9Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #8CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13677.0Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,4TBDMS,isomer #9CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13672.6Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TBDMS,isomer #1CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)[NH]C(=O)C2=N13706.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TBDMS,isomer #2CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13840.8Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TBDMS,isomer #3CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13837.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TBDMS,isomer #4CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13848.3Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TBDMS,isomer #5CC1=C(O[Si](C)(C)C(C)(C)C)N(C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13834.2Semi standard non polar33892256
7-Hydroxy-6-methyl-8-ribityl lumazine,5TBDMS,isomer #6CC1=C(O)N(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=N13876.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9031000000-31345cb74c25ba5817822017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (5 TMS) - 70eV, Positivesplash10-00di-1011119000-4e9da45e71f2d8ecf3cb2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (TBDMS_3_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (TBDMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (TBDMS_4_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS (TBDMS_5_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine GC-MS ("7-Hydroxy-6-methyl-8-ribityl lumazine,3TBDMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 10V, Positive-QTOFsplash10-01t9-0049000000-c96549d32e50830eb68e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 20V, Positive-QTOFsplash10-08fr-5291000000-f24a253e13e58999151e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 40V, Positive-QTOFsplash10-08i0-2910000000-cf0790ca9d8484d3a6592017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 10V, Negative-QTOFsplash10-0089-3090000000-ae929200294d52194b442017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 20V, Negative-QTOFsplash10-0006-9100000000-b54d6bfe5deeef630a9c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 40V, Negative-QTOFsplash10-0006-9800000000-7eba918d7919fe2c040c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 10V, Positive-QTOFsplash10-004j-0409000000-29d1140e0df4e7517be12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 20V, Positive-QTOFsplash10-0a4i-1093000000-92e87bd1573b8696c1072021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 40V, Positive-QTOFsplash10-0a4i-0790000000-e5d913a0bdfaa904384d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 10V, Negative-QTOFsplash10-056r-0069000000-9efece673f44ae85fa672021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 20V, Negative-QTOFsplash10-066v-2390000000-e6f235ac58abf1514d1d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 7-Hydroxy-6-methyl-8-ribityl lumazine 40V, Negative-QTOFsplash10-006x-5910000000-0fd8a00cea868010c4bd2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023352
KNApSAcK IDNot Available
Chemspider ID20100757
KEGG Compound IDC05995
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound0
PDB IDNot Available
ChEBI ID27581
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kjer-Nielsen L, Patel O, Corbett AJ, Le Nours J, Meehan B, Liu L, Bhati M, Chen Z, Kostenko L, Reantragoon R, Williamson NA, Purcell AW, Dudek NL, McConville MJ, O'Hair RA, Khairallah GN, Godfrey DI, Fairlie DP, Rossjohn J, McCluskey J: MR1 presents microbial vitamin B metabolites to MAIT cells. Nature. 2012 Nov 29;491(7426):717-23. doi: 10.1038/nature11605. Epub 2012 Oct 10. [PubMed:23051753 ]
  2. Reantragoon R, Corbett AJ, Sakala IG, Gherardin NA, Furness JB, Chen Z, Eckle SB, Uldrich AP, Birkinshaw RW, Patel O, Kostenko L, Meehan B, Kedzierska K, Liu L, Fairlie DP, Hansen TH, Godfrey DI, Rossjohn J, McCluskey J, Kjer-Nielsen L: Antigen-loaded MR1 tetramers define T cell receptor heterogeneity in mucosal-associated invariant T cells. J Exp Med. 2013 Oct 21;210(11):2305-20. doi: 10.1084/jem.20130958. Epub 2013 Oct 7. [PubMed:24101382 ]