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Showing metabocard for Dihydroactinidiolide (HMDB0035240)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:11:33 UTC
Update Date2023-02-21 17:24:43 UTC
HMDB IDHMDB0035240
Secondary Accession Numbers
  • HMDB35240
Metabolite Identification
Common NameDihydroactinidiolide
DescriptionDihydroactinidiolide 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. Dihydroactinidiolide is a coumarin and musk tasting compound. Dihydroactinidiolide is found, on average, in the highest concentration within safflowers (Carthamus tinctorius). Dihydroactinidiolide has also been detected, but not quantified in, several different foods, such as fenugreeks (Trigonella foenum-graecum), herbal tea, black tea, red tea, and green tea. This could make dihydroactinidiolide a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Dihydroactinidiolide.
Structure
Data?1677000283
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035240 (Dihydroactinidiolide)

  Mrv0541 05061308192D          

 13 14  0  0  0  0            999 V2000
    3.1681    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.2900    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
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    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
   -0.1712    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0035240 (Dihydroactinidiolide)

HMDB0035240
     RDKit          3D
Dihydroactinidiolide
 29 30  0  0  0  0  0  0  0  0999 V2000
    2.3702    0.2979    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197   -0.0067   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    0.5204   -1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.4950   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -1.7811    0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679   -1.3188    0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    0.1181    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805    0.1718   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2766    0.9914    0.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542    2.0667    1.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834    3.1027    1.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587    1.8388    0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854    0.6926    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -0.2304    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004   -0.0746    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    1.3884    0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -0.1096   -2.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713    0.4210   -1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    1.5745   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4179   -1.7689   -1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017   -2.0461   -0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0514   -2.8625    1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -1.2538    1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -1.9359   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.5125    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    1.0279   -1.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486   -0.7549   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9821    0.4169   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    2.5217    1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13  2  1  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
 12 29  1  0
M  END
Download

3D SDF for HMDB0035240 (Dihydroactinidiolide)

  Mrv0541 05061308192D          

 13 14  0  0  0  0            999 V2000
    3.1681    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.2900    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
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    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
   -0.1712    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 10  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035240

> <DATABASE_NAME>
hmdb

> <SMILES>
CC12CCCC(C)(C)C1=CC(=O)O2

> <INCHI_IDENTIFIER>
InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3

> <INCHI_KEY>
IMKHDCBNRDRUEB-UHFFFAOYSA-N

> <FORMULA>
C11H16O2

> <MOLECULAR_WEIGHT>
180.2435

> <EXACT_MASS>
180.115029756

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.888880533069575

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one

> <ALOGPS_LOGP>
3.28

> <JCHEM_LOGP>
2.5675599269999996

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.8420260168503555

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
50.9329

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.14e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dihydroactinidiolide

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0035240 (Dihydroactinidiolide)

HMDB0035240
     RDKit          3D
Dihydroactinidiolide
 29 30  0  0  0  0  0  0  0  0999 V2000
    2.3702    0.2979    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197   -0.0067   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    0.5204   -1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8375   -1.4950   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -1.7811    0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679   -1.3188    0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4315    0.1181    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805    0.1718   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2766    0.9914    0.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542    2.0667    1.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9834    3.1027    1.9194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587    1.8388    0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0854    0.6926    0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -0.2304    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004   -0.0746    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163    1.3884    0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -0.1096   -2.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713    0.4210   -1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711    1.5745   -1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4179   -1.7689   -1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8017   -2.0461   -0.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0514   -2.8625    1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -1.2538    1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -1.9359   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.5125    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    1.0279   -1.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486   -0.7549   -1.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9821    0.4169   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    2.5217    1.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13  2  1  0
 13  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
 12 29  1  0
M  END
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PDB for HMDB0035240 (Dihydroactinidiolide)

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       5.914   5.562   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.934   5.562   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.429   0.541   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.126   4.089   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.320   2.843   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
CONECT    1   10                                                            
CONECT    2   10                                                            
CONECT    3   11                                                            
CONECT    4    5    6                                                       
CONECT    5    4   10                                                       
CONECT    6    4   11                                                       
CONECT    7    8    9                                                       
CONECT    8    7   10   11                                                  
CONECT    9    7   12   13                                                  
CONECT   10    1    2    5    8                                             
CONECT   11    3    6    8   13                                             
CONECT   12    9                                                            
CONECT   13    9   11                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   28    0
END
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3D PDB for HMDB0035240 (Dihydroactinidiolide)

COMPND    HMDB0035240
HETATM    1  C1  UNL     1       2.370   0.298   0.558  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.120  -0.007  -0.235  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.315   0.520  -1.635  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.837  -1.495  -0.230  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.047  -1.781   0.950  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.468  -1.319   0.651  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.432   0.118   0.191  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.881   0.172  -1.290  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.277   0.991   0.848  1.00  0.00           O  
HETATM   10  C9  UNL     1      -1.554   2.067   1.300  1.00  0.00           C  
HETATM   11  O2  UNL     1      -1.983   3.103   1.919  1.00  0.00           O  
HETATM   12  C10 UNL     1      -0.159   1.839   0.952  1.00  0.00           C  
HETATM   13  C11 UNL     1      -0.085   0.693   0.327  1.00  0.00           C  
HETATM   14  H1  UNL     1       3.204  -0.230   0.086  1.00  0.00           H  
HETATM   15  H2  UNL     1       2.300  -0.075   1.602  1.00  0.00           H  
HETATM   16  H3  UNL     1       2.516   1.388   0.627  1.00  0.00           H  
HETATM   17  H4  UNL     1       0.671  -0.110  -2.316  1.00  0.00           H  
HETATM   18  H5  UNL     1       2.371   0.421  -1.961  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.971   1.574  -1.638  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.418  -1.769  -1.193  1.00  0.00           H  
HETATM   21  H8  UNL     1       1.802  -2.046  -0.120  1.00  0.00           H  
HETATM   22  H9  UNL     1      -0.051  -2.862   1.171  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.277  -1.254   1.843  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.828  -1.936  -0.192  1.00  0.00           H  
HETATM   25  H12 UNL     1      -2.107  -1.513   1.509  1.00  0.00           H  
HETATM   26  H13 UNL     1      -1.361   1.028  -1.753  1.00  0.00           H  
HETATM   27  H14 UNL     1      -1.649  -0.755  -1.813  1.00  0.00           H  
HETATM   28  H15 UNL     1      -2.982   0.417  -1.336  1.00  0.00           H  
HETATM   29  H16 UNL     1       0.691   2.522   1.179  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    4   13
CONECT    3   17   18   19
CONECT    4    5   20   21
CONECT    5    6   22   23
CONECT    6    7   24   25
CONECT    7    8    9   13
CONECT    8   26   27   28
CONECT    9   10
CONECT   10   11   11   12
CONECT   12   13   13   29
END
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SMILES for HMDB0035240 (Dihydroactinidiolide)

CC12CCCC(C)(C)C1=CC(=O)O2
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INCHI for HMDB0035240 (Dihydroactinidiolide)

InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2-Hydroxy-2,6,6-trimethylcyclohexylidene-1-acetic acid lactoneHMDB
4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-benzofuran-2-oneHMDB
4,5,7,7a-tetrahydro-4,4,7a-Trimethyl-2(6H)benzofuranoneHMDB
2-Hydroxy-2,6,6-trimethylcyclohexylideneacetic acid gamma-lactoneMeSH, HMDB
(S)-5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranoneGenerator
(S)-5,6,7,7Α-tetrahydro-4,4,7α-trimethyl-2(4H)-benzofuranoneGenerator
Chemical FormulaC11H16O2
Average Molecular Weight180.2435
Monoisotopic Molecular Weight180.115029756
IUPAC Name4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Traditional Namedihydroactinidiolide
CAS Registry Number15356-74-8
SMILES
CC12CCCC(C)(C)C1=CC(=O)O2
InChI Identifier
InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
InChI KeyIMKHDCBNRDRUEB-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
  • 2-furanone
  • Dihydrofuran
  • Alpha,beta-unsaturated carboxylic ester
  • Enoate ester
  • Carboxylic acid ester
  • Lactone
  • Carboxylic acid derivative
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxygen compound
  • Organooxygen compound
  • Organic oxide
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point295.00 to 296.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility600.6 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.058 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 IDFDB013900
KNApSAcK IDC00000319
Chemspider ID25323
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDihydroactinidiolide
METLIN IDNot Available
PubChem Compound27209
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1019161
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .