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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2019-10-08 19:00:40 UTC

Update Date

2022-03-07 03:18:17 UTC

HMDB ID

HMDB0240491

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Curcumin glucuronide

Description

Curcumin glucuronide belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review very few articles have been published on Curcumin glucuronide.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652310081921002D          

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 27 48  1  1  0  0  0
M  END

HMDB0240491
     RDKit          3D
Curcumin glucuronide
 67 69  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652310081921002D          

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    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 14  3  1  0  0  0  0
 14  5  1  0  0  0  0
 14 11  2  0  0  0  0
 15  4  1  0  0  0  0
 15  6  1  0  0  0  0
 15 12  2  0  0  0  0
 16  7  1  0  0  0  0
 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 11  1  0  0  0  0
 20 18  2  0  0  0  0
 21 12  1  0  0  0  0
 21 19  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 25 26  1  1  0  0  0
 27 24  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  2  0  0  0  0
 30 18  1  0  0  0  0
 22 31  1  6  0  0  0
 23 32  1  1  0  0  0
 24 33  1  1  0  0  0
 34 26  2  0  0  0  0
 35 26  1  0  0  0  0
 36  1  1  0  0  0  0
 36 20  1  0  0  0  0
 37  2  1  0  0  0  0
 37 21  1  0  0  0  0
 38 19  1  0  0  0  0
 27 38  1  6  0  0  0
 39 25  1  0  0  0  0
 39 27  1  0  0  0  0
 40  3  1  0  0  0  0
 41  4  1  0  0  0  0
 42  7  1  0  0  0  0
 43  8  1  0  0  0  0
 22 44  1  1  0  0  0
 23 45  1  6  0  0  0
 24 46  1  6  0  0  0
 25 47  1  1  0  0  0
 27 48  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0240491

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1

> <INCHI_KEY>
BNSAVBGHRVFVNN-XSCLDSQRSA-N

> <FORMULA>
C27H28O12

> <MOLECULAR_WEIGHT>
544.509

> <EXACT_MASS>
544.158076342

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
54.0976167061806

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
2.1767309956666665

> <ALOGPS_LOGS>
-3.75

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.24817088163712

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1490480922331825

> <JCHEM_PKA_STRONGEST_BASIC>
-3.686827976063836

> <JCHEM_POLAR_SURFACE_AREA>
189.27999999999997

> <JCHEM_REFRACTIVITY>
135.82239999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.71e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0240491
     RDKit          3D
Curcumin glucuronide
 67 69  0  0  0  0  0  0  0  0999 V2000
    8.0961   -2.2186   -2.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3154   -1.8039   -2.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960   -0.9529   -1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521   -0.4290   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556    0.4144    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    0.9548    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.6952    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    1.2659    1.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671    2.0397    2.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    0.9290    1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    1.6216    1.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954    2.3601    2.8867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222    1.4118    1.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    0.6444    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    0.4148    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -0.4127   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3978   -0.6763   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.0924   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7035   -0.4107   -0.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9851   -0.0719   -0.5060 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6016   -1.2667   -0.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9220   -0.9564    0.2661 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4776   -1.9121    1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6515   -1.8194    1.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6598   -2.9340    1.7103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7089   -0.9858   -1.0210 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.9607   -0.3985   -0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8784   -0.4004   -2.1139 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3398   -1.3771   -2.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7938    0.5168   -1.6530 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2750    1.7880   -1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729    0.7277    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862    1.3227    1.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910    2.1750    2.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8408    0.9730    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970    0.7606    1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7515    0.2625    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6091   -0.5840   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7929   -1.0668   -1.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849   -2.5054   -1.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621   -1.3258   -3.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073   -3.0552   -3.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3204   -0.7445   -0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501    1.6291    2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625    0.0434    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914    1.1479    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853   -0.1718    1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891    1.9103    2.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113    0.1725    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2654   -0.8675   -1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5957   -1.3352   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0796    0.6124    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0123    0.0664    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3939   -3.6479    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8811   -2.0631   -1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2373    0.0305   -1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5675    0.2069   -2.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5924   -1.8127   -2.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0850    0.6522   -2.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8925    2.1188   -0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873    2.9861    2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7648    2.6864    2.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969    1.6290    3.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6594    1.6233    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880    1.4263    1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7268    0.5327    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7434   -1.6909   -1.9293 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 18 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  2  0
  5 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38  3  1  0
 35 15  1  0
 30 20  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  6 44  1  0
  7 45  1  0
 10 46  1  0
 10 47  1  0
 13 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  1
 22 53  1  1
 25 54  1  0
 26 55  1  6
 27 56  1  0
 28 57  1  6
 29 58  1  0
 30 59  1  6
 31 60  1  0
 34 61  1  0
 34 62  1  0
 34 63  1  0
 35 64  1  0
 36 65  1  0
 37 66  1  0
 39 67  1  0
M  END

HEADER    PROTEIN                                 08-OCT-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-OCT-19         0                                  
HETATM    1  C   UNK     0      -8.002  20.020   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001  16.170   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001  17.710   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.668  16.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  15.400   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.668  17.710   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.002  10.780   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -6.668   8.470   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.335  20.020   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -8.002  18.480   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   40  H   UNK     0      -4.001  13.090   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      -5.335   6.160   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0      -8.002  13.860   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      -2.667   9.240   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0       2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.000   3.080   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       2.667   3.080   0.000  0.00  0.00           H+0
CONECT    1   36                                                            
CONECT    2   37                                                            
CONECT    3    7   14   40                                                  
CONECT    4    8   15   41                                                  
CONECT    5    9   14                                                       
CONECT    6   10   15                                                       
CONECT    7    3   16   42                                                  
CONECT    8    4   17   43                                                  
CONECT    9    5   18                                                       
CONECT   10    6   19                                                       
CONECT   11   14   20                                                       
CONECT   12   15   21                                                       
CONECT   13   16   17                                                       
CONECT   14    3    5   11                                                  
CONECT   15    4    6   12                                                  
CONECT   16    7   13   28                                                  
CONECT   17    8   13   29                                                  
CONECT   18    9   20   30                                                  
CONECT   19   10   21   38                                                  
CONECT   20   11   18   36                                                  
CONECT   21   12   19   37                                                  
CONECT   22   23   24   31   44                                             
CONECT   23   22   25   32   45                                             
CONECT   24   22   27   33   46                                             
CONECT   25   23   26   39   47                                             
CONECT   26   25   34   35                                                  
CONECT   27   24   38   39   48                                             
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   22                                                            
CONECT   32   23                                                            
CONECT   33   24                                                            
CONECT   34   26                                                            
CONECT   35   26                                                            
CONECT   36    1   20                                                       
CONECT   37    2   21                                                       
CONECT   38   19   27                                                       
CONECT   39   25   27                                                       
CONECT   40    3                                                            
CONECT   41    4                                                            
CONECT   42    7                                                            
CONECT   43    8                                                            
CONECT   44   22                                                            
CONECT   45   23                                                            
CONECT   46   24                                                            
CONECT   47   25                                                            
CONECT   48   27                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  100    0
END

COMPND    HMDB0240491
HETATM    1  C1  UNL     1       8.096  -2.219  -2.732  1.00  0.00           C  
HETATM    2  O1  UNL     1       9.315  -1.804  -2.161  1.00  0.00           O  
HETATM    3  C2  UNL     1       9.396  -0.953  -1.079  1.00  0.00           C  
HETATM    4  C3  UNL     1       8.252  -0.429  -0.455  1.00  0.00           C  
HETATM    5  C4  UNL     1       8.356   0.414   0.619  1.00  0.00           C  
HETATM    6  C5  UNL     1       7.180   0.955   1.262  1.00  0.00           C  
HETATM    7  C6  UNL     1       5.932   0.695   0.888  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.784   1.266   1.571  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.967   2.040   2.559  1.00  0.00           O  
HETATM   10  C8  UNL     1       3.421   0.929   1.096  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.429   1.622   1.938  1.00  0.00           C  
HETATM   12  O3  UNL     1       2.795   2.360   2.887  1.00  0.00           O  
HETATM   13  C10 UNL     1       1.022   1.412   1.623  1.00  0.00           C  
HETATM   14  C11 UNL     1       0.607   0.644   0.636  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.792   0.415   0.296  1.00  0.00           C  
HETATM   16  C13 UNL     1      -1.101  -0.413  -0.762  1.00  0.00           C  
HETATM   17  C14 UNL     1      -2.398  -0.676  -1.142  1.00  0.00           C  
HETATM   18  C15 UNL     1      -3.474  -0.092  -0.442  1.00  0.00           C  
HETATM   19  O4  UNL     1      -4.703  -0.411  -0.888  1.00  0.00           O  
HETATM   20  C16 UNL     1      -5.985  -0.072  -0.506  1.00  0.00           C  
HETATM   21  O5  UNL     1      -6.602  -1.267  -0.054  1.00  0.00           O  
HETATM   22  C17 UNL     1      -7.922  -0.956   0.266  1.00  0.00           C  
HETATM   23  C18 UNL     1      -8.478  -1.912   1.256  1.00  0.00           C  
HETATM   24  O6  UNL     1      -9.652  -1.819   1.685  1.00  0.00           O  
HETATM   25  O7  UNL     1      -7.660  -2.934   1.710  1.00  0.00           O  
HETATM   26  C19 UNL     1      -8.709  -0.986  -1.021  1.00  0.00           C  
HETATM   27  O8  UNL     1      -9.961  -0.399  -0.891  1.00  0.00           O  
HETATM   28  C20 UNL     1      -7.878  -0.400  -2.114  1.00  0.00           C  
HETATM   29  O9  UNL     1      -7.340  -1.377  -2.947  1.00  0.00           O  
HETATM   30  C21 UNL     1      -6.794   0.517  -1.653  1.00  0.00           C  
HETATM   31  O10 UNL     1      -7.275   1.788  -1.328  1.00  0.00           O  
HETATM   32  C22 UNL     1      -3.173   0.728   0.607  1.00  0.00           C  
HETATM   33  O11 UNL     1      -4.186   1.323   1.324  1.00  0.00           O  
HETATM   34  C23 UNL     1      -3.891   2.175   2.414  1.00  0.00           C  
HETATM   35  C24 UNL     1      -1.841   0.973   0.965  1.00  0.00           C  
HETATM   36  C25 UNL     1       9.597   0.761   1.103  1.00  0.00           C  
HETATM   37  C26 UNL     1      10.752   0.262   0.513  1.00  0.00           C  
HETATM   38  C27 UNL     1      10.609  -0.584  -0.566  1.00  0.00           C  
HETATM   39  O12 UNL     1      11.793  -1.067  -1.136  1.00  0.00           O  
HETATM   40  H1  UNL     1       7.385  -2.505  -1.913  1.00  0.00           H  
HETATM   41  H2  UNL     1       7.662  -1.326  -3.265  1.00  0.00           H  
HETATM   42  H3  UNL     1       8.207  -3.055  -3.422  1.00  0.00           H  
HETATM   43  H4  UNL     1       7.320  -0.744  -0.890  1.00  0.00           H  
HETATM   44  H5  UNL     1       7.250   1.629   2.120  1.00  0.00           H  
HETATM   45  H6  UNL     1       5.762   0.043   0.056  1.00  0.00           H  
HETATM   46  H7  UNL     1       3.291   1.148   0.017  1.00  0.00           H  
HETATM   47  H8  UNL     1       3.285  -0.172   1.286  1.00  0.00           H  
HETATM   48  H9  UNL     1       0.289   1.910   2.228  1.00  0.00           H  
HETATM   49  H10 UNL     1       1.411   0.173   0.067  1.00  0.00           H  
HETATM   50  H11 UNL     1      -0.265  -0.868  -1.308  1.00  0.00           H  
HETATM   51  H12 UNL     1      -2.596  -1.335  -1.983  1.00  0.00           H  
HETATM   52  H13 UNL     1      -6.080   0.612   0.356  1.00  0.00           H  
HETATM   53  H14 UNL     1      -8.012   0.066   0.693  1.00  0.00           H  
HETATM   54  H15 UNL     1      -7.394  -3.648   1.045  1.00  0.00           H  
HETATM   55  H16 UNL     1      -8.881  -2.063  -1.264  1.00  0.00           H  
HETATM   56  H17 UNL     1     -10.237   0.030  -1.718  1.00  0.00           H  
HETATM   57  H18 UNL     1      -8.567   0.207  -2.761  1.00  0.00           H  
HETATM   58  H19 UNL     1      -6.592  -1.813  -2.500  1.00  0.00           H  
HETATM   59  H20 UNL     1      -6.085   0.652  -2.500  1.00  0.00           H  
HETATM   60  H21 UNL     1      -6.892   2.119  -0.472  1.00  0.00           H  
HETATM   61  H22 UNL     1      -3.187   2.986   2.064  1.00  0.00           H  
HETATM   62  H23 UNL     1      -4.765   2.686   2.813  1.00  0.00           H  
HETATM   63  H24 UNL     1      -3.297   1.629   3.200  1.00  0.00           H  
HETATM   64  H25 UNL     1      -1.659   1.623   1.795  1.00  0.00           H  
HETATM   65  H26 UNL     1       9.688   1.426   1.951  1.00  0.00           H  
HETATM   66  H27 UNL     1      11.727   0.533   0.892  1.00  0.00           H  
HETATM   67  H28 UNL     1      11.743  -1.691  -1.929  1.00  0.00           H  
CONECT    1    2   40   41   42
CONECT    2    3
CONECT    3    4    4   38
CONECT    4    5   43
CONECT    5    6   36   36
CONECT    6    7    7   44
CONECT    7    8   45
CONECT    8    9    9   10
CONECT   10   11   46   47
CONECT   11   12   12   13
CONECT   13   14   14   48
CONECT   14   15   49
CONECT   15   16   16   35
CONECT   16   17   50
CONECT   17   18   18   51
CONECT   18   19   32
CONECT   19   20
CONECT   20   21   30   52
CONECT   21   22
CONECT   22   23   26   53
CONECT   23   24   24   25
CONECT   25   54
CONECT   26   27   28   55
CONECT   27   56
CONECT   28   29   30   57
CONECT   29   58
CONECT   30   31   59
CONECT   31   60
CONECT   32   33   35   35
CONECT   33   34
CONECT   34   61   62   63
CONECT   35   64
CONECT   36   37   65
CONECT   37   38   38   66
CONECT   38   39
CONECT   39   67
END

HMDB0240491
     RDKit          3D
Curcumin glucuronide
 67 69  0  0  0  0  0  0  0  0999 V2000
    8.0961   -2.2186   -2.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3154   -1.8039   -2.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960   -0.9529   -1.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521   -0.4290   -0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556    0.4144    0.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    0.9548    1.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.6952    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    1.2659    1.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671    2.0397    2.5587 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    0.9290    1.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    1.6216    1.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7954    2.3601    2.8867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0222    1.4118    1.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    0.6444    0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    0.4148    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1011   -0.4127   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3978   -0.6763   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.0924   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7035   -0.4107   -0.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9851   -0.0719   -0.5060 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6016   -1.2667   -0.0539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9220   -0.9564    0.2661 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4776   -1.9121    1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6515   -1.8194    1.6849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6598   -2.9340    1.7103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7089   -0.9858   -1.0210 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.9607   -0.3985   -0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8784   -0.4004   -2.1139 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3398   -1.3771   -2.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7938    0.5168   -1.6530 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2750    1.7880   -1.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1729    0.7277    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1862    1.3227    1.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910    2.1750    2.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8408    0.9730    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5970    0.7606    1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7515    0.2625    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6091   -0.5840   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7929   -1.0668   -1.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849   -2.5054   -1.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621   -1.3258   -3.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073   -3.0552   -3.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3204   -0.7445   -0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501    1.6291    2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625    0.0434    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914    1.1479    0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2853   -0.1718    1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891    1.9103    2.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4113    0.1725    0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2654   -0.8675   -1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5957   -1.3352   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0796    0.6124    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0123    0.0664    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3939   -3.6479    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8811   -2.0631   -1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2373    0.0305   -1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5675    0.2069   -2.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5924   -1.8127   -2.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0850    0.6522   -2.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8925    2.1188   -0.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873    2.9861    2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7648    2.6864    2.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969    1.6290    3.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6594    1.6233    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880    1.4263    1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7268    0.5327    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7434   -1.6909   -1.9293 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 18 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  2  0
  5 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38  3  1  0
 35 15  1  0
 30 20  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  6 44  1  0
  7 45  1  0
 10 46  1  0
 10 47  1  0
 13 48  1  0
 14 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  1
 22 53  1  1
 25 54  1  0
 26 55  1  6
 27 56  1  0
 28 57  1  6
 29 58  1  0
 30 59  1  6
 31 60  1  0
 34 61  1  0
 34 62  1  0
 34 63  1  0
 35 64  1  0
 36 65  1  0
 37 66  1  0
 39 67  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Curcumin glucuronide	MeSH

Chemical Formula

C₂₇H₂₈O₁₂

Average Molecular Weight

544.509

Monoisotopic Molecular Weight

544.158076342

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenoxy}oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1

InChI Identifier

InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1

InChI Key

BNSAVBGHRVFVNN-XSCLDSQRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Dioxopiperazine
2,5-dioxopiperazine
N-alkylpiperazine
1,4-diazinane
Piperazine
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Lactam
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

piperazinone (CHEBI:69439 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 32966057)

Excreta

Biofluid or Excreta

Urine (PMID: 32966057)

Source

Exogenous

Exogenous (HMDB: HMDB0240491)

Food

Herb and spice

Spice

Curcuma (HMDB: HMDB0240491)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	2.07	ALOGPS
logP	2.18	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	3.15	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	189.28 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	135.82 m³·mol⁻¹	ChemAxon
Polarizability	54.1 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	213.87	30932474
DeepCCS	[M-H]-	211.991	30932474
DeepCCS	[M-2H]-	245.987	30932474
DeepCCS	[M+Na]+	219.819	30932474

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	5.24 minutes	32390414
Predicted by Siyang on May 30, 2022	11.1097 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	3.87 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2142.3 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	195.9 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	149.0 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	178.7 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	82.3 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	370.6 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	375.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	375.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	894.6 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	451.9 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1051.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	279.9 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	315.5 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	351.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	289.2 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	15.9 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Curcumin glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1	6871.1	Standard polar	33892256
Curcumin glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1	3979.5	Standard non polar	33892256
Curcumin glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O[C@]2([H])O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C=C1	4414.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Curcumin glucuronide,1TMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4831.1	Semi standard non polar	33892256
Curcumin glucuronide,1TMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O	4812.2	Semi standard non polar	33892256
Curcumin glucuronide,1TMS,isomer #3	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O	4804.1	Semi standard non polar	33892256
Curcumin glucuronide,1TMS,isomer #4	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	4798.2	Semi standard non polar	33892256
Curcumin glucuronide,1TMS,isomer #5	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4818.4	Semi standard non polar	33892256
Curcumin glucuronide,1TMS,isomer #6	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	5019.8	Semi standard non polar	33892256
Curcumin glucuronide,1TMS,isomer #7	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	5018.3	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4762.4	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #10	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4888.9	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #11	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4887.9	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #12	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	4704.5	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #13	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4711.0	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #14	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4900.6	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #15	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4900.7	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #16	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4695.8	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #17	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4895.8	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #18	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4896.3	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #19	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4928.3	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4751.6	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #20	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4928.2	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #3	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4744.3	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #4	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4767.3	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #5	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4968.5	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #6	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4968.4	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #7	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O	4734.9	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #8	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	4701.9	Semi standard non polar	33892256
Curcumin glucuronide,2TMS,isomer #9	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4734.8	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4709.7	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #10	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4671.8	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #11	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4852.3	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #12	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4852.1	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #13	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4875.5	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #14	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4875.5	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #15	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	4646.9	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #16	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4668.1	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #17	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4810.2	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #18	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4810.4	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #19	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4637.4	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4688.5	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #20	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4788.8	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #21	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4788.5	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #22	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4811.9	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #23	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4811.7	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #24	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4606.2	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #25	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4790.1	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #26	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4790.7	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #27	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4802.1	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #28	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4802.2	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #29	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4789.6	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #3	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4700.4	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #30	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4789.8	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #4	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4847.8	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #5	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4847.9	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #6	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4682.1	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #7	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4685.4	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #8	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4849.6	Semi standard non polar	33892256
Curcumin glucuronide,3TMS,isomer #9	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4849.6	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4639.0	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #10	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4612.2	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #11	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4781.3	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #12	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4781.9	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #13	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4789.1	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #14	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4789.3	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #15	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4776.6	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #16	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4776.7	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #17	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)=CC=C1O	4605.8	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #18	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4724.8	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #19	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4724.2	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4657.9	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #20	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4747.3	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #21	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4746.4	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #22	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4716.8	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #23	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4715.6	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #24	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4705.3	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #25	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O	4705.1	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #3	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4793.3	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #4	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4793.5	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #5	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4628.2	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #6	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4772.4	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #7	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4772.9	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #8	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4785.9	Semi standard non polar	33892256
Curcumin glucuronide,4TMS,isomer #9	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C)C(OC)=C2)O[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4786.1	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	5113.3	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O	5105.5	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #3	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O	5090.9	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #4	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	5090.4	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #5	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5113.7	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #6	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5262.6	Semi standard non polar	33892256
Curcumin glucuronide,1TBDMS,isomer #7	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5260.9	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	5307.9	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #10	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5407.1	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #11	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5406.5	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #12	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	5262.7	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #13	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5270.8	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #14	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5375.4	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #15	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5375.4	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #16	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5270.0	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #17	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5393.4	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #18	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5394.0	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #19	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5421.3	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5290.7	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #20	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5421.2	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #3	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5297.3	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #4	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5319.0	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #5	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	5428.5	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #6	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	5428.1	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #7	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)=CC=C1O	5304.1	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #8	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	5287.0	Semi standard non polar	33892256
Curcumin glucuronide,2TBDMS,isomer #9	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5310.2	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #1	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5476.8	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #10	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	5438.2	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #11	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5562.8	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #12	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5562.9	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #13	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5594.4	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #14	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5594.5	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #15	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)=CC=C1O	5437.1	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #16	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5452.6	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #17	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5563.8	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #18	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5564.9	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #19	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5433.7	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #2	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5466.9	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #20	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5562.8	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #21	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5563.2	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #22	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5571.1	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #23	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5572.0	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #24	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O	5401.1	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #25	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5515.6	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #26	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5515.1	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #27	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5539.7	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #28	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5539.8	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #29	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5527.7	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #3	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5479.4	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #30	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O	5527.7	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #4	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	5578.5	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #5	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	5578.8	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #6	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5434.0	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #7	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5453.2	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #8	COC1=CC(/C=C/C(=CC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5551.5	Semi standard non polar	33892256
Curcumin glucuronide,3TBDMS,isomer #9	COC1=CC(/C=C/C(=O)C=C(/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5552.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS ("Curcumin glucuronide,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Curcumin glucuronide GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 10V, Positive-QTOF	splash10-016s-0309060000-bcad872865a9c01d6997	2017-06-28	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 20V, Positive-QTOF	splash10-00or-0917010000-c24643e283fa7a221499	2017-06-28	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 40V, Positive-QTOF	splash10-004s-0912000000-86747c8fe8a0ba6b8448	2017-06-28	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 10V, Negative-QTOF	splash10-00kf-2617490000-5c44a91d35a9cb4a8020	2017-06-28	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 20V, Negative-QTOF	splash10-014i-1309210000-1cc0b76da8b461b9d832	2017-06-28	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 40V, Negative-QTOF	splash10-0gb9-3309000000-f8e5b1ec537b315d16d5	2017-06-28	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 10V, Negative-QTOF	splash10-0006-0913060000-3c88362f3c4e40e408ff	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 20V, Negative-QTOF	splash10-0ke9-2709120000-22344805e2954d94e0ec	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 40V, Negative-QTOF	splash10-053r-4903400000-5d80fb836a04c093c7ca	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 10V, Positive-QTOF	splash10-002b-0503090000-b44e886becc51b2384da	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 20V, Positive-QTOF	splash10-002k-0809560000-a0ec5a4a0d264631d9e0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Curcumin glucuronide 40V, Positive-QTOF	splash10-0fba-0911100000-807eb83d7ee72eb381f6	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB093680

KNApSAcK ID

Not Available

Chemspider ID

34989363

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71315012

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Curcumin glucuronide (HMDB0240491)

MOL for HMDB0240491 (Curcumin glucuronide)

3D MOL for HMDB0240491 (Curcumin glucuronide)

3D SDF for HMDB0240491 (Curcumin glucuronide)

3D-SDF for HMDB0240491 (Curcumin glucuronide)

PDB for HMDB0240491 (Curcumin glucuronide)

3D PDB for HMDB0240491 (Curcumin glucuronide)

SMILES for HMDB0240491 (Curcumin glucuronide)

INCHI for HMDB0240491 (Curcumin glucuronide)

Structure for HMDB0240491 (Curcumin glucuronide)

3D Structure for HMDB0240491 (Curcumin glucuronide)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra