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Showing metabocard for Phenoxazine (HMDB0256415)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 16:51:46 UTC
Update Date2021-09-26 23:12:03 UTC
HMDB IDHMDB0256415
Secondary Accession NumbersNone
Metabolite Identification
Common NamePhenoxazine
Description10H-phenoxazine, also known as phenazoxine, belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring. Based on a literature review a significant number of articles have been published on 10H-phenoxazine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Phenoxazine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Phenoxazine 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 HMDB0256415 (Phenoxazine)


  Mrv1652309112118522D          

 14 16  0  0  0  0            999 V2000
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   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
    0.7145   -0.4125    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
    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
    1.4289    0.8250    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
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3D MOL for HMDB0256415 (Phenoxazine)

HMDB0256415
     RDKit          3D
Phenoxazine
 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.6161    0.6354   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -0.7079    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -1.3508    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914   -0.7460    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120    0.6103   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021    1.2742   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    1.2945   -0.3324 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284    0.5581   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    1.1824   -0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.4839   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5886   -0.8532    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819   -1.5060    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254   -0.7780    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.4309    0.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5713    1.1081   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710   -1.2373    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.4106    0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4389    2.3185   -0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387    2.3046   -0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.2229   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    0.9989   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975   -1.4161    0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677   -2.5551    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  6  1  1  0
 13  8  1  0
 14  4  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 12 23  1  0
M  END
Download

3D SDF for HMDB0256415 (Phenoxazine)


  Mrv1652309112118522D          

 14 16  0  0  0  0            999 V2000
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   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
    0.7145   -0.4125    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
    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
    1.4289    0.8250    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0256415

> <DATABASE_NAME>
hmdb

> <SMILES>
N1C2=CC=CC=C2OC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H

> <INCHI_KEY>
TZMSYXZUNZXBOL-UHFFFAOYSA-N

> <FORMULA>
C12H9NO

> <MOLECULAR_WEIGHT>
183.21

> <EXACT_MASS>
183.068413914

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
19.62709983611405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10H-phenoxazine

> <ALOGPS_LOGP>
3.25

> <JCHEM_LOGP>
2.940212958333333

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.806322703120195

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6570037011253932

> <JCHEM_POLAR_SURFACE_AREA>
21.259999999999998

> <JCHEM_REFRACTIVITY>
54.72700000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenoxazine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0256415 (Phenoxazine)

HMDB0256415
     RDKit          3D
Phenoxazine
 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.6161    0.6354   -0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225   -0.7079    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -1.3508    0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914   -0.7460    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120    0.6103   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021    1.2742   -0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    1.2945   -0.3324 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284    0.5581   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    1.1824   -0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    0.4839   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5886   -0.8532    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819   -1.5060    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254   -0.7780    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.4309    0.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5713    1.1081   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710   -1.2373    0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.4106    0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4389    2.3185   -0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387    2.3046   -0.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.2229   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    0.9989   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975   -1.4161    0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3677   -2.5551    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  6  1  1  0
 13  8  1  0
 14  4  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 12 23  1  0
M  END
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PDB for HMDB0256415 (Phenoxazine)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13    4                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   32    0
END
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3D PDB for HMDB0256415 (Phenoxazine)

COMPND    HMDB0256415
HETATM    1  C1  UNL     1      -3.616   0.635  -0.243  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.622  -0.708   0.102  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.419  -1.351   0.294  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.191  -0.746   0.166  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.212   0.610  -0.184  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.402   1.274  -0.381  1.00  0.00           C  
HETATM    7  N1  UNL     1       0.027   1.295  -0.332  1.00  0.00           N  
HETATM    8  C7  UNL     1       1.228   0.558  -0.116  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.453   1.182  -0.250  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.624   0.484  -0.044  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.589  -0.853   0.299  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.382  -1.506   0.440  1.00  0.00           C  
HETATM   13  C12 UNL     1       1.225  -0.778   0.227  1.00  0.00           C  
HETATM   14  O1  UNL     1      -0.000  -1.431   0.368  1.00  0.00           O  
HETATM   15  H1  UNL     1      -4.571   1.108  -0.386  1.00  0.00           H  
HETATM   16  H2  UNL     1      -4.571  -1.237   0.217  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.401  -2.411   0.567  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.439   2.318  -0.650  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.039   2.305  -0.592  1.00  0.00           H  
HETATM   20  H6  UNL     1       2.440   2.223  -0.518  1.00  0.00           H  
HETATM   21  H7  UNL     1       4.574   0.999  -0.156  1.00  0.00           H  
HETATM   22  H8  UNL     1       4.497  -1.416   0.464  1.00  0.00           H  
HETATM   23  H9  UNL     1       2.368  -2.555   0.710  1.00  0.00           H  
CONECT    1    2    2    6   15
CONECT    2    3   16
CONECT    3    4    4   17
CONECT    4    5   14
CONECT    5    6    6    7
CONECT    6   18
CONECT    7    8   19
CONECT    8    9    9   13
CONECT    9   10   20
CONECT   10   11   11   21
CONECT   11   12   22
CONECT   12   13   13   23
CONECT   13   14
END
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SMILES for HMDB0256415 (Phenoxazine)

N1C2=CC=CC=C2OC2=CC=CC=C12
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INCHI for HMDB0256415 (Phenoxazine)

InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
PhenazoxineChEBI
PhenoxazineChEBI
3H-PhenoxazineMeSH
Chemical FormulaC12H9NO
Average Molecular Weight183.21
Monoisotopic Molecular Weight183.068413914
IUPAC Name10H-phenoxazine
Traditional Namephenoxazine
CAS Registry NumberNot Available
SMILES
N1C2=CC=CC=C2OC2=CC=CC=C12
InChI Identifier
InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChI KeyTZMSYXZUNZXBOL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzoxazines
Sub ClassPhenoxazines
Direct ParentPhenoxazines
Alternative Parents
Substituents
  • Phenoxazine
  • Diaryl ether
  • Benzenoid
  • Oxacycle
  • Azacycle
  • Secondary amine
  • Ether
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
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
logP3.25ALOGPS
logP2.94ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)16.81ChemAxon
pKa (Strongest Basic)-0.66ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area21.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity54.73 m³·mol⁻¹ChemAxon
Polarizability19.63 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-166.22930932474
DeepCCS[M+Na]+141.64630932474
AllCCS[M+H]+139.332859911
AllCCS[M+H-H2O]+134.932859911
AllCCS[M+NH4]+143.532859911
AllCCS[M+Na]+144.732859911
AllCCS[M-H]-140.032859911
AllCCS[M+Na-2H]-139.632859911
AllCCS[M+HCOO]-139.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhenoxazineN1C2=CC=CC=C2OC2=CC=CC=C122407.3Standard polar33892256
PhenoxazineN1C2=CC=CC=C2OC2=CC=CC=C121711.1Standard non polar33892256
PhenoxazineN1C2=CC=CC=C2OC2=CC=CC=C121828.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Phenoxazine,1TMS,isomer #1C[Si](C)(C)N1C2=CC=CC=C2OC2=CC=CC=C211802.4Semi standard non polar33892256
Phenoxazine,1TMS,isomer #1C[Si](C)(C)N1C2=CC=CC=C2OC2=CC=CC=C211837.7Standard non polar33892256
Phenoxazine,1TMS,isomer #1C[Si](C)(C)N1C2=CC=CC=C2OC2=CC=CC=C212503.2Standard polar33892256
Phenoxazine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C2=CC=CC=C2OC2=CC=CC=C212032.8Semi standard non polar33892256
Phenoxazine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C2=CC=CC=C2OC2=CC=CC=C212037.2Standard non polar33892256
Phenoxazine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C2=CC=CC=C2OC2=CC=CC=C212604.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Phenoxazine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-0900000000-726e1f81cd1cfc27ea522021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenoxazine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
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 ID60610
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhenoxazine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID94057
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. 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 ]