Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-09-13 08:06:32 UTC
Update Date2020-03-31 21:50:08 UTC
HMDB IDHMDB0126497
Secondary Accession NumbersNone
Metabolite Identification
Common NameLaricitrin
DescriptionLaricitrin, also known as 3'-O-methylmyricetin or 3,4',5,5',7-pentahydroxy-3'-methoxyflavone, belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. Thus, laricitrin is considered to be a flavonoid lipid molecule. Laricitrin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. BioTransformer predicts that laricitrin is a product of isorhamnetin metabolism via a hydroxylation-of-benzene-ortho-to-edg reaction catalyzed by the CYP1A2, CYP2C8, CYP2C9, and CYP3A4 enzymes (PMID: 30612223 ).
Structure
Data?1585691408
Synonyms
ValueSource
3'-O-MethylmyricetinChEBI
3,4',5,5',7-Pentahydroxy-3'-methoxyflavoneChEBI
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-oneHMDB
3'-MethylmyricetinHMDB
3’-MethylmyricetinHMDB
3’-O-MethylmyricetinHMDB
LaricetrinHMDB
LaricitrinHMDB
LaricytrinHMDB
LarycitrinHMDB
Myricetin 3'-methyl etherHMDB
Myricetin 3’-methyl etherHMDB
Chemical FormulaC16H12O8
Average Molecular Weight332.264
Monoisotopic Molecular Weight332.053217346
IUPAC Name2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Traditional Namelaricitrin
CAS Registry Number53472-37-0
SMILES
COC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Identifier
InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3
InChI KeyCFYMYCCYMJIYAB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavones
Direct ParentFlavonols
Alternative Parents
Substituents
  • 3p-methoxyflavonoid-skeleton
  • 3-hydroxyflavone
  • 3'-hydroxyflavonoid
  • 3-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Chromone
  • Benzopyran
  • Methoxyphenol
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Catechol
  • Methoxybenzene
  • Phenol ether
  • Pyranone
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Pyran
  • Monocyclic benzene moiety
  • Heteroaromatic compound
  • Vinylogous acid
  • Organoheterocyclic compound
  • Polyol
  • Oxacycle
  • Ether
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP1.82ALOGPS
logP2ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)6.38ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity83.33 m³·mol⁻¹ChemAxon
Polarizability31.53 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+174.21930932474
DeepCCS[M-H]-171.86130932474
DeepCCS[M-2H]-205.85730932474
DeepCCS[M+Na]+181.08530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
LaricitrinCOC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O15386.7Standard polar33892256
LaricitrinCOC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O13323.3Standard non polar33892256
LaricitrinCOC1=CC(=CC(O)=C1O)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O13389.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Laricitrin,1TMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O3424.4Semi standard non polar33892256
Laricitrin,1TMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C3384.7Semi standard non polar33892256
Laricitrin,1TMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O)=C1O3370.9Semi standard non polar33892256
Laricitrin,1TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O3388.2Semi standard non polar33892256
Laricitrin,1TMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O3455.7Semi standard non polar33892256
Laricitrin,2TMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O3352.9Semi standard non polar33892256
Laricitrin,2TMS,isomer #10COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O3317.5Semi standard non polar33892256
Laricitrin,2TMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O3297.8Semi standard non polar33892256
Laricitrin,2TMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O3257.4Semi standard non polar33892256
Laricitrin,2TMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3281.7Semi standard non polar33892256
Laricitrin,2TMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C3321.7Semi standard non polar33892256
Laricitrin,2TMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C3271.6Semi standard non polar33892256
Laricitrin,2TMS,isomer #7COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C3232.5Semi standard non polar33892256
Laricitrin,2TMS,isomer #8COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O3284.0Semi standard non polar33892256
Laricitrin,2TMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O3250.8Semi standard non polar33892256
Laricitrin,3TMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O3276.3Semi standard non polar33892256
Laricitrin,3TMS,isomer #10COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O3202.3Semi standard non polar33892256
Laricitrin,3TMS,isomer #2COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O3176.6Semi standard non polar33892256
Laricitrin,3TMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3220.3Semi standard non polar33892256
Laricitrin,3TMS,isomer #4COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O3164.6Semi standard non polar33892256
Laricitrin,3TMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3179.3Semi standard non polar33892256
Laricitrin,3TMS,isomer #6COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3172.1Semi standard non polar33892256
Laricitrin,3TMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C3248.9Semi standard non polar33892256
Laricitrin,3TMS,isomer #8COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C3181.5Semi standard non polar33892256
Laricitrin,3TMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C3158.1Semi standard non polar33892256
Laricitrin,4TMS,isomer #1COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O3256.5Semi standard non polar33892256
Laricitrin,4TMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3230.7Semi standard non polar33892256
Laricitrin,4TMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3162.2Semi standard non polar33892256
Laricitrin,4TMS,isomer #4COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3135.7Semi standard non polar33892256
Laricitrin,4TMS,isomer #5COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C3237.6Semi standard non polar33892256
Laricitrin,5TMS,isomer #1COC1=CC(C2=C(O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3239.0Semi standard non polar33892256
Laricitrin,1TBDMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O3712.4Semi standard non polar33892256
Laricitrin,1TBDMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C3653.5Semi standard non polar33892256
Laricitrin,1TBDMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O)=C1O3673.8Semi standard non polar33892256
Laricitrin,1TBDMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O3682.6Semi standard non polar33892256
Laricitrin,1TBDMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O3731.9Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O3892.3Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #10COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O3866.2Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O3835.9Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O3818.5Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #4COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3819.8Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C3866.2Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #6COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C3811.2Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #7COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C3785.9Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #8COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O3822.6Semi standard non polar33892256
Laricitrin,2TBDMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O3798.1Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #1COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O4063.3Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #10COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O3969.4Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #2COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O3957.4Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #3COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4021.2Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #4COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O3930.3Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #5COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3967.9Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #6COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C3935.0Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #7COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C4046.9Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #8COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C3955.9Semi standard non polar33892256
Laricitrin,3TBDMS,isomer #9COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C3926.5Semi standard non polar33892256
Laricitrin,4TBDMS,isomer #1COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O4158.4Semi standard non polar33892256
Laricitrin,4TBDMS,isomer #2COC1=CC(C2=C(O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4188.5Semi standard non polar33892256
Laricitrin,4TBDMS,isomer #3COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4059.6Semi standard non polar33892256
Laricitrin,4TBDMS,isomer #4COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4031.2Semi standard non polar33892256
Laricitrin,4TBDMS,isomer #5COC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC(O)=C1O[Si](C)(C)C(C)(C)C4143.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Laricitrin GC-MS (5 TMS) - 70eV, Positivesplash10-0059-0033009000-057abb5132228c1326f12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Laricitrin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udr-0719000000-88f22f0e476bc7e374d52017-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Laricitrin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin LC-ESI-QTOF 6V, positive-QTOFsplash10-001i-0129000000-c7437a58de4eba08f9ca2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin LC-ESI-QFT , negative-QTOFsplash10-0ufr-0594000000-2f46849ff93230a662402020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin LC-ESI-QTOF 35V, negative-QTOFsplash10-0ufr-0295000000-6220e7e45b57ebd4ec012020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin LC-ESI-QTOF 6V, negative-QTOFsplash10-001i-0429000000-58b7179fe988343aaed22020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin 6V, Positive-QTOFsplash10-001i-0429000000-a70c69053a9b8e1eadab2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin 6V, Positive-QTOFsplash10-001i-0129000000-53889ccd91d5af27171d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin 6V, Negative-QTOFsplash10-001i-0429000000-5f0090acb6fba682afbb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin 6V, Positive-QTOFsplash10-001i-0129000000-07b48d605c39b6754ccc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Laricitrin 35V, Negative-QTOFsplash10-0ufr-0295000000-1573f6fa500a0a058cfd2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 10V, Positive-QTOFsplash10-001i-0009000000-4d7be96b6b48379501b42019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 20V, Positive-QTOFsplash10-001i-0219000000-ebd92d1f3330250cdecb2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 40V, Positive-QTOFsplash10-0fe0-2921000000-5948d0474dc3c9b2b6d22019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 10V, Negative-QTOFsplash10-001i-0009000000-4f93c0f9aa17df767c012019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 20V, Negative-QTOFsplash10-001i-0129000000-7182a57be034615dffb72019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 40V, Negative-QTOFsplash10-004i-2931000000-0907bea30a7bd218cd242019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 10V, Negative-QTOFsplash10-001i-0009000000-31d7a3d9e9a14bce0c3e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 20V, Negative-QTOFsplash10-001i-0619000000-40ed5ffa456c5397bb5e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 40V, Negative-QTOFsplash10-0fz0-1930000000-8066e496543ff38984bc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 10V, Positive-QTOFsplash10-001i-0009000000-9a57877c53466fab202c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 20V, Positive-QTOFsplash10-001i-0009000000-5a5b84c2463dda4845e32021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Laricitrin 40V, Positive-QTOFsplash10-0uyi-1912000000-9c4df784f8a752d3d1a72021-09-24Wishart 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 IDFDB085372
KNApSAcK IDC00004763
Chemspider ID4445351
KEGG Compound IDC12633
BioCyc IDCPD-8605
BiGG IDNot Available
Wikipedia LinkLaricitrin
METLIN IDNot Available
PubChem Compound5282154
PDB IDNot Available
ChEBI ID31763
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. Djoumbou-Feunang Y, Fiamoncini J, Gil-de-la-Fuente A, Greiner R, Manach C, Wishart DS: BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. J Cheminform. 2019 Jan 5;11(1):2. doi: 10.1186/s13321-018-0324-5. [PubMed:30612223 ]