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Showing metabocard for O-Anisidine (HMDB0255842)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 15:43:07 UTC
Update Date2021-09-26 23:11:00 UTC
HMDB IDHMDB0255842
Secondary Accession NumbersNone
Metabolite Identification
Common NameO-Anisidine
Descriptiono-anisidine, also known as 2-aminoanisole or 2-methoxyaniline, belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. Based on a literature review a significant number of articles have been published on o-anisidine. This compound has been identified in human blood as reported by (PMID: 31557052 ). O-anisidine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically O-Anisidine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0255842 (O-Anisidine)


  Mrv1572004191601102D          

  9  9  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   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
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
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3D MOL for HMDB0255842 (O-Anisidine)

HMDB0255842
     RDKit          3D
O-Anisidine
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.5421   -1.1233    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -0.0137    0.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307   -0.0366    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053   -1.2105   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647   -1.2449   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662   -0.0700   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    1.1064   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3653    1.1494    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    2.3784    0.5467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106   -1.7650   -0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -1.7199    1.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836   -0.7534   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2231   -2.1524   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728   -2.1585   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461   -0.0591   -0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816    2.0207    0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    2.7669   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309    2.8853    1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
  9 18  1  0
M  END
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3D SDF for HMDB0255842 (O-Anisidine)


  Mrv1572004191601102D          

  9  9  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 N   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
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0255842

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=CC=C1N

> <INCHI_IDENTIFIER>
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

> <INCHI_KEY>
VMPITZXILSNTON-UHFFFAOYSA-N

> <FORMULA>
C7H9NO

> <MOLECULAR_WEIGHT>
123.155

> <EXACT_MASS>
123.068413914

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.129667465645342

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-methoxyaniline

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
0.9866485963333335

> <ALOGPS_LOGS>
-0.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.423752991330782

> <JCHEM_POLAR_SURFACE_AREA>
35.25

> <JCHEM_REFRACTIVITY>
37.2216

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
O-anisidine

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0255842 (O-Anisidine)

HMDB0255842
     RDKit          3D
O-Anisidine
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.5421   -1.1233    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   -0.0137    0.2864 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307   -0.0366    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053   -1.2105   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6647   -1.2449   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3662   -0.0700   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    1.1064   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3653    1.1494    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2552    2.3784    0.5467 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106   -1.7650   -0.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5240   -1.7199    1.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836   -0.7534   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2231   -2.1524   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728   -2.1585   -0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4461   -0.0591   -0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2816    2.0207    0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948    2.7669   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0309    2.8853    1.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
  9 18  1  0
M  END
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PDB for HMDB0255842 (O-Anisidine)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   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       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -1.334   2.310   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    7    8                                                  
CONECT    7    5    6    9                                                  
CONECT    8    6                                                            
CONECT    9    1    7                                                       
MASTER        0    0    0    0    0    0    0    0    9    0   18    0
END
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3D PDB for HMDB0255842 (O-Anisidine)

COMPND    HMDB0255842
HETATM    1  C1  UNL     1       2.542  -1.123   0.196  1.00  0.00           C  
HETATM    2  O1  UNL     1       1.693  -0.014   0.286  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.331  -0.037   0.051  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.305  -1.210  -0.304  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.665  -1.245  -0.542  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.366  -0.070  -0.413  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.724   1.106  -0.056  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.365   1.149   0.183  1.00  0.00           C  
HETATM    9  N1  UNL     1       0.255   2.378   0.547  1.00  0.00           N  
HETATM   10  H1  UNL     1       2.211  -1.765  -0.660  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.524  -1.720   1.143  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.584  -0.753  -0.003  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.223  -2.152  -0.413  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.173  -2.158  -0.820  1.00  0.00           H  
HETATM   15  H6  UNL     1      -3.446  -0.059  -0.594  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.282   2.021   0.042  1.00  0.00           H  
HETATM   17  H8  UNL     1       0.995   2.767  -0.070  1.00  0.00           H  
HETATM   18  H9  UNL     1      -0.031   2.885   1.426  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   13
CONECT    5    6    6   14
CONECT    6    7   15
CONECT    7    8    8   16
CONECT    8    9
CONECT    9   17   18
END
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SMILES for HMDB0255842 (O-Anisidine)

COC1=CC=CC=C1N
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INCHI for HMDB0255842 (O-Anisidine)

InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-Amino-2-methoxybenzeneChEBI
2-AminoanisoleChEBI
2-AnisidineChEBI
2-Methoxy-1-aminobenzeneChEBI
2-MethoxyanilineChEBI
2-MethoxybenzenamineChEBI
O-AminoanisoleChEBI
O-AnisylamineChEBI
O-MethoxyanilineChEBI
O-MethoxyphenylamineChEBI
Ortho-aminoanisoleChEBI
Ortho-anisidineChEBI
O-AnisidineKEGG
2-Anisidine hydrochlorideMeSH
Chemical FormulaC7H9NO
Average Molecular Weight123.155
Monoisotopic Molecular Weight123.068413914
IUPAC Name2-methoxyaniline
Traditional NameO-anisidine
CAS Registry NumberNot Available
SMILES
COC1=CC=CC=C1N
InChI Identifier
InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
InChI KeyVMPITZXILSNTON-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenol ethers
Sub ClassAminophenyl ethers
Direct ParentAminophenyl ethers
Alternative Parents
Substituents
  • Aminophenyl ether
  • Methoxyaniline
  • Phenoxy compound
  • Anisole
  • Aniline or substituted anilines
  • Methoxybenzene
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Ether
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Amine
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
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
logP0.93ALOGPS
logP0.99ChemAxon
logS-0.59ALOGPS
pKa (Strongest Basic)4.42ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area35.25 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity37.22 m³·mol⁻¹ChemAxon
Polarizability13.13 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+127.8530932474
DeepCCS[M-H]-125.71130932474
DeepCCS[M-2H]-161.77330932474
DeepCCS[M+Na]+136.55930932474
AllCCS[M+H]+126.232859911
AllCCS[M+H-H2O]+121.432859911
AllCCS[M+NH4]+130.732859911
AllCCS[M+Na]+132.032859911
AllCCS[M-H]-123.732859911
AllCCS[M+Na-2H]-125.932859911
AllCCS[M+HCOO]-128.332859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202211.5422 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.68 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1360.1 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid404.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid126.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid259.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid147.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid320.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid377.3 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)131.9 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid969.6 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid264.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid825.8 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid297.3 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid341.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate403.5 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA262.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water70.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
O-AnisidineCOC1=CC=CC=C1N1915.1Standard polar33892256
O-AnisidineCOC1=CC=CC=C1N1127.1Standard non polar33892256
O-AnisidineCOC1=CC=CC=C1N1173.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
O-Anisidine,1TMS,isomer #1COC1=CC=CC=C1N[Si](C)(C)C1368.8Semi standard non polar33892256
O-Anisidine,1TMS,isomer #1COC1=CC=CC=C1N[Si](C)(C)C1339.3Standard non polar33892256
O-Anisidine,1TMS,isomer #1COC1=CC=CC=C1N[Si](C)(C)C1639.2Standard polar33892256
O-Anisidine,2TMS,isomer #1COC1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C1397.8Semi standard non polar33892256
O-Anisidine,2TMS,isomer #1COC1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C1474.4Standard non polar33892256
O-Anisidine,2TMS,isomer #1COC1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C1608.1Standard polar33892256
O-Anisidine,1TBDMS,isomer #1COC1=CC=CC=C1N[Si](C)(C)C(C)(C)C1597.1Semi standard non polar33892256
O-Anisidine,1TBDMS,isomer #1COC1=CC=CC=C1N[Si](C)(C)C(C)(C)C1562.1Standard non polar33892256
O-Anisidine,1TBDMS,isomer #1COC1=CC=CC=C1N[Si](C)(C)C(C)(C)C1837.5Standard polar33892256
O-Anisidine,2TBDMS,isomer #1COC1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1852.7Semi standard non polar33892256
O-Anisidine,2TBDMS,isomer #1COC1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1887.3Standard non polar33892256
O-Anisidine,2TBDMS,isomer #1COC1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1869.1Standard polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID13860775
KEGG Compound IDC19191
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkO-Anisidine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID82288
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1269991
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]