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Showing metabocard for Aurone (HMDB0248733)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 02:10:43 UTC
Update Date2021-09-26 22:59:11 UTC
HMDB IDHMDB0248733
Secondary Accession NumbersNone
Metabolite Identification
Common NameAurone
DescriptionAurone belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus). Based on a literature review a significant number of articles have been published on Aurone. This compound has been identified in human blood as reported by (PMID: 31557052 ). Aurone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Aurone 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 HMDB0248733 (Aurone)

  Mrv1652309112104102D          

 17 19  0  0  0  0            999 V2000
   -1.4087   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    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
  7  4  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0248733 (Aurone)

HMDB0248733
     RDKit          3D
Aurone
 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0785   -0.0963    1.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246    0.0245    0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2161    0.2393   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098    0.3535   -1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193    0.2791   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.7210    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   -0.7579    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5382    0.2672    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    1.2887    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    1.3177   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3452    0.3088   -1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065    0.1574   -0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253    0.1606   -1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8149   -0.0200   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5192   -0.1999    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1788   -0.1997    1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936   -0.0202    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698    0.5229   -2.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959   -1.5549    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066   -1.5657    1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4325    0.2527    1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0529    2.0848    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    2.1340   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1013    0.2954   -2.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518   -0.0205   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3058   -0.3387    1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9147   -0.3371    2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  2  1  0
 10  5  1  0
 17 12  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
 16 27  1  0
M  END
Download

3D SDF for HMDB0248733 (Aurone)

  Mrv1652309112104102D          

 17 19  0  0  0  0            999 V2000
   -1.4087   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837   -2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    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
  7  4  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248733

> <DATABASE_NAME>
hmdb

> <SMILES>
O=C1C(OC2=CC=CC=C12)=CC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10H

> <INCHI_KEY>
OMUOMODZGKSORV-UHFFFAOYSA-N

> <FORMULA>
C15H10O2

> <MOLECULAR_WEIGHT>
222.243

> <EXACT_MASS>
222.068079562

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
24.158319887530546

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-3-one

> <ALOGPS_LOGP>
3.55

> <JCHEM_LOGP>
3.202274316333334

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.4529412525229635

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
67.04630000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.25e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aurone

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0248733 (Aurone)

HMDB0248733
     RDKit          3D
Aurone
 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0785   -0.0963    1.5241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246    0.0245    0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2161    0.2393   -0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098    0.3535   -1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193    0.2791   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.7210    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   -0.7579    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5382    0.2672    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2995    1.2887    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    1.3177   -0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3452    0.3088   -1.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065    0.1574   -0.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253    0.1606   -1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8149   -0.0200   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5192   -0.1999    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1788   -0.1997    1.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1936   -0.0202    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698    0.5229   -2.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959   -1.5549    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8066   -1.5657    1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4325    0.2527    1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0529    2.0848    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    2.1340   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1013    0.2954   -2.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518   -0.0205   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3058   -0.3387    1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9147   -0.3371    2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  2  1  0
 10  5  1  0
 17 12  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
 16 27  1  0
M  END
Download

PDB for HMDB0248733 (Aurone)

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      -2.630  -5.304   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.400  -3.970   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.630  -2.637   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.090  -2.637   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.320  -3.970   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.090  -5.304   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.650   1.408   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.126  -2.549   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    4    8                                                       
CONECT    8    7    9   17                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11   17                                                  
CONECT   17   16    8                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END
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3D PDB for HMDB0248733 (Aurone)

COMPND    HMDB0248733
HETATM    1  O1  UNL     1      -0.078  -0.096   1.524  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.725   0.024   0.469  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.216   0.239  -0.874  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.010   0.353  -1.326  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.219   0.279  -0.526  1.00  0.00           C  
HETATM    6  C5  UNL     1       2.501  -0.721   0.356  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.638  -0.758   1.125  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.538   0.267   0.995  1.00  0.00           C  
HETATM    9  C8  UNL     1       4.300   1.289   0.123  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.147   1.318  -0.648  1.00  0.00           C  
HETATM   11  O2  UNL     1      -1.345   0.309  -1.689  1.00  0.00           O  
HETATM   12  C10 UNL     1      -2.506   0.157  -0.990  1.00  0.00           C  
HETATM   13  C11 UNL     1      -3.825   0.161  -1.413  1.00  0.00           C  
HETATM   14  C12 UNL     1      -4.815  -0.020  -0.459  1.00  0.00           C  
HETATM   15  C13 UNL     1      -4.519  -0.200   0.882  1.00  0.00           C  
HETATM   16  C14 UNL     1      -3.179  -0.200   1.281  1.00  0.00           C  
HETATM   17  C15 UNL     1      -2.194  -0.020   0.333  1.00  0.00           C  
HETATM   18  H1  UNL     1       1.170   0.523  -2.396  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.796  -1.555   0.442  1.00  0.00           H  
HETATM   20  H3  UNL     1       3.807  -1.566   1.801  1.00  0.00           H  
HETATM   21  H4  UNL     1       5.432   0.253   1.590  1.00  0.00           H  
HETATM   22  H5  UNL     1       5.053   2.085   0.052  1.00  0.00           H  
HETATM   23  H6  UNL     1       2.966   2.134  -1.342  1.00  0.00           H  
HETATM   24  H7  UNL     1      -4.101   0.295  -2.450  1.00  0.00           H  
HETATM   25  H8  UNL     1      -5.852  -0.020  -0.788  1.00  0.00           H  
HETATM   26  H9  UNL     1      -5.306  -0.339   1.608  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.915  -0.337   2.320  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4    4   11
CONECT    4    5   18
CONECT    5    6    6   10
CONECT    6    7   19
CONECT    7    8    8   20
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   23
CONECT   11   12
CONECT   12   13   13   17
CONECT   13   14   24
CONECT   14   15   15   25
CONECT   15   16   26
CONECT   16   17   17   27
END
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SMILES for HMDB0248733 (Aurone)

O=C1C(OC2=CC=CC=C12)=CC1=CC=CC=C1
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INCHI for HMDB0248733 (Aurone)

InChI=1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Benzylidenebenzofuran-3(2H)-oneHMDB
Chemical FormulaC15H10O2
Average Molecular Weight222.243
Monoisotopic Molecular Weight222.068079562
IUPAC Name2-(phenylmethylidene)-2,3-dihydro-1-benzofuran-3-one
Traditional Nameaurone
CAS Registry NumberNot Available
SMILES
O=C1C(OC2=CC=CC=C12)=CC1=CC=CC=C1
InChI Identifier
InChI=1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10H
InChI KeyOMUOMODZGKSORV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassAurone flavonoids
Sub ClassNot Available
Direct ParentAurone flavonoids
Alternative Parents
Substituents
  • Aurone
  • Coumaran
  • Benzofuran
  • Aryl ketone
  • Benzenoid
  • Monocyclic benzene moiety
  • Ketone
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
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
Predicted Chromatographic Properties
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 IDC00002385
Chemspider ID533325
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAurone
METLIN IDNot Available
PubChem Compound613552
PDB IDNot Available
ChEBI IDNot Available
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 ]