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Showing metabocard for (+/-)-Dihydromintlactone (HMDB0032219)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:48:33 UTC
Update Date2022-03-07 02:53:16 UTC
HMDB IDHMDB0032219
Secondary Accession Numbers
  • HMDB32219
Metabolite Identification
Common Name(+/-)-Dihydromintlactone
Description(+/-)-Dihydromintlactone belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Based on a literature review very few articles have been published on (+/-)-Dihydromintlactone.
Structure
Data?1563862233
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032219 ((+/-)-Dihydromintlactone)


  Mrv0541 05061306242D          

 12 13  0  0  0  0            999 V2000
    4.7079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0032219 ((+/-)-Dihydromintlactone)

HMDB0032219
     RDKit          3D
(+/-)-Dihydromintlactone
 28 29  0  0  0  0  0  0  0  0999 V2000
    3.3140   -0.3074   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -0.2724    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.4100   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -1.3409    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953    0.0064   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1034    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684    1.0916   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7569    2.2284    0.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832    1.8441    0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480    2.6264    0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1159    0.3691    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887   -0.2500   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634    0.3531   -1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742    0.1489    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934   -1.3450   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368   -0.3999    1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015   -2.3421   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -1.3228   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518   -1.5974    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.0861   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341    0.1805   -1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    0.9284    1.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    1.1931   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856    1.8391    0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217    0.0601    1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -0.1334   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2921   -1.3342    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104    0.1691    0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  7  2  1  0
 11  5  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
 11 25  1  0
 12 26  1  0
 12 27  1  0
 12 28  1  0
M  END
Download

3D SDF for HMDB0032219 ((+/-)-Dihydromintlactone)


  Mrv0541 05061306242D          

 12 13  0  0  0  0            999 V2000
    4.7079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 12 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032219

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1C2CCC(C)CC2OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3

> <INCHI_KEY>
FGDINYRLQOKVQS-UHFFFAOYSA-N

> <FORMULA>
C10H16O2

> <MOLECULAR_WEIGHT>
168.2328

> <EXACT_MASS>
168.115029756

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.200922997691425

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,6-dimethyl-octahydro-1-benzofuran-2-one

> <ALOGPS_LOGP>
2.57

> <JCHEM_LOGP>
2.264469688666666

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.082138917003127

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
45.644400000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,6-dimethyl-hexahydro-3H-1-benzofuran-2-one

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032219 ((+/-)-Dihydromintlactone)

HMDB0032219
     RDKit          3D
(+/-)-Dihydromintlactone
 28 29  0  0  0  0  0  0  0  0999 V2000
    3.3140   -0.3074   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -0.2724    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448   -1.4100   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719   -1.3409    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953    0.0064   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0670    1.1034    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684    1.0916   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7569    2.2284    0.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832    1.8441    0.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480    2.6264    0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1159    0.3691    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2887   -0.2500   -0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2634    0.3531   -1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742    0.1489    0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934   -1.3450   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1368   -0.3999    1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015   -2.3421   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227   -1.3228   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2518   -1.5974    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.0861   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341    0.1805   -1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1911    0.9284    1.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381    1.1931   -1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0856    1.8391    0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217    0.0601    1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -0.1334   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2921   -1.3342    0.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104    0.1691    0.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
  7  2  1  0
 11  5  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
 11 25  1  0
 12 26  1  0
 12 27  1  0
 12 28  1  0
M  END
Download

PDB for HMDB0032219 ((+/-)-Dihydromintlactone)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       8.788  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.846   3.481   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.322   2.016   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.417   0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.877   0.770   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       3.322  -0.476   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    7                                                            
CONECT    3    4    6                                                       
CONECT    4    3    8                                                       
CONECT    5    6    9                                                       
CONECT    6    1    3    5                                                  
CONECT    7    2    8   10                                                  
CONECT    8    4    7    9                                                  
CONECT    9    5    8   12                                                  
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12    9   10                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
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3D PDB for HMDB0032219 ((+/-)-Dihydromintlactone)

COMPND    HMDB0032219
HETATM    1  C1  UNL     1       3.314  -0.307  -0.577  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.001  -0.272   0.126  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.145  -1.410  -0.331  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.272  -1.341   0.252  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.795   0.006  -0.056  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.067   1.103   0.592  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.368   1.092  -0.118  1.00  0.00           C  
HETATM    8  O1  UNL     1      -0.757   2.228   0.305  1.00  0.00           O  
HETATM    9  C8  UNL     1      -2.083   1.844   0.416  1.00  0.00           C  
HETATM   10  O2  UNL     1      -3.048   2.626   0.413  1.00  0.00           O  
HETATM   11  C9  UNL     1      -2.116   0.369   0.534  1.00  0.00           C  
HETATM   12  C10 UNL     1      -3.289  -0.250  -0.160  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.263   0.353  -1.466  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.074   0.149   0.121  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.593  -1.345  -0.846  1.00  0.00           H  
HETATM   16  H4  UNL     1       2.137  -0.400   1.239  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.602  -2.342  -0.003  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.023  -1.323  -1.434  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.252  -1.597   1.326  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.859  -2.086  -0.324  1.00  0.00           H  
HETATM   21  H9  UNL     1      -0.734   0.181  -1.140  1.00  0.00           H  
HETATM   22  H10 UNL     1       0.191   0.928   1.666  1.00  0.00           H  
HETATM   23  H11 UNL     1       1.238   1.193  -1.212  1.00  0.00           H  
HETATM   24  H12 UNL     1       2.086   1.839   0.260  1.00  0.00           H  
HETATM   25  H13 UNL     1      -2.122   0.060   1.591  1.00  0.00           H  
HETATM   26  H14 UNL     1      -3.274  -0.133  -1.249  1.00  0.00           H  
HETATM   27  H15 UNL     1      -3.292  -1.334   0.117  1.00  0.00           H  
HETATM   28  H16 UNL     1      -4.210   0.169   0.313  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    7   16
CONECT    3    4   17   18
CONECT    4    5   19   20
CONECT    5    6   11   21
CONECT    6    7    8   22
CONECT    7   23   24
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   25
CONECT   12   26   27   28
END
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SMILES for HMDB0032219 ((+/-)-Dihydromintlactone)

CC1C2CCC(C)CC2OC1=O
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INCHI for HMDB0032219 ((+/-)-Dihydromintlactone)

InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H16O2
Average Molecular Weight168.2328
Monoisotopic Molecular Weight168.115029756
IUPAC Name3,6-dimethyl-octahydro-1-benzofuran-2-one
Traditional Name3,6-dimethyl-hexahydro-3H-1-benzofuran-2-one
CAS Registry Number92015-65-1
SMILES
CC1C2CCC(C)CC2OC1=O
InChI Identifier
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3
InChI KeyFGDINYRLQOKVQS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzofurans
Sub ClassNot Available
Direct ParentBenzofurans
Alternative Parents
Substituents
  • Benzofuran
  • Gamma butyrolactone
  • Tetrahydrofuran
  • Lactone
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot 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
Water Solubility1.06 g/LALOGPS
logP2.57ALOGPS
logP2.26ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)-7.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity45.64 m³·mol⁻¹ChemAxon
Polarizability19.2 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+138.13231661259
DarkChem[M-H]-134.831661259
DeepCCS[M+H]+136.91330932474
DeepCCS[M-H]-133.08230932474
DeepCCS[M-2H]-170.07530932474
DeepCCS[M+Na]+145.65730932474
AllCCS[M+H]+137.332859911
AllCCS[M+H-H2O]+132.932859911
AllCCS[M+NH4]+141.532859911
AllCCS[M+Na]+142.632859911
AllCCS[M-H]-141.732859911
AllCCS[M+Na-2H]-142.632859911
AllCCS[M+HCOO]-143.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(+/-)-DihydromintlactoneCC1C2CCC(C)CC2OC1=O2192.3Standard polar33892256
(+/-)-DihydromintlactoneCC1C2CCC(C)CC2OC1=O1395.4Standard non polar33892256
(+/-)-DihydromintlactoneCC1C2CCC(C)CC2OC1=O1416.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (+/-)-Dihydromintlactone GC-MS (Non-derivatized) - 70eV, Positivesplash10-056v-9600000000-581f3356e479ae4b36062017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (+/-)-Dihydromintlactone GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 10V, Positive-QTOFsplash10-014i-1900000000-2272ac721add13d0217a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 20V, Positive-QTOFsplash10-014i-8900000000-a5a1cec3a1d513ffbe2a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 40V, Positive-QTOFsplash10-0ktf-9000000000-643aef6eab986c4c85162016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 10V, Negative-QTOFsplash10-014i-0900000000-e0839c97b65ac490a4232016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 20V, Negative-QTOFsplash10-01b9-1900000000-4e000f2444590a4ca65b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 40V, Negative-QTOFsplash10-0fka-9700000000-873801406e439151df6c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 10V, Negative-QTOFsplash10-014i-0900000000-cb7592114e600c180aec2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 20V, Negative-QTOFsplash10-01b9-1900000000-db7f63637a8e9c4f1d082021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 40V, Negative-QTOFsplash10-0gdm-7900000000-9204b18d2a913f5128072021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 10V, Positive-QTOFsplash10-014i-0900000000-8f82d2dea0fdfb8343f72021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 20V, Positive-QTOFsplash10-00tb-6900000000-069cf8c6034125620c392021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (+/-)-Dihydromintlactone 40V, Positive-QTOFsplash10-0006-9000000000-42ac4b4048c7778e56002021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB009289
KNApSAcK IDNot Available
Chemspider ID10633221
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14344497
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. (). EAFUS: Everything Added to Food in the United States.. .