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Showing metabocard for m-Trigallic acid (HMDB0030559)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (5) Show 5 proteinsXML
enzymes (5) Show 5 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:37 UTC
Update Date2022-03-07 02:52:36 UTC
HMDB IDHMDB0030559
Secondary Accession Numbers
  • HMDB30559
Metabolite Identification
Common Namem-Trigallic acid
Descriptionm-Trigallic acid, also known as m-trigallate, belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Based on a literature review a significant number of articles have been published on m-Trigallic acid.
Structure
Data?1563862004
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0030559 (m-Trigallic acid)


  Mrv0541 05061305202D          

 34 36  0  0  0  0            999 V2000
   -1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  2  0  0  0  0
 30 19  1  0  0  0  0
 31 20  2  0  0  0  0
 32 21  2  0  0  0  0
 33 14  1  0  0  0  0
 33 21  1  0  0  0  0
 34 15  1  0  0  0  0
 34 20  1  0  0  0  0
M  END
Download

3D MOL for HMDB0030559 (m-Trigallic acid)

HMDB0030559
     RDKit          3D
m-Trigallic acid
 48 50  0  0  0  0  0  0  0  0999 V2000
    8.2207    0.3952   -2.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1758    0.7789   -1.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7005    2.0498   -2.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4592   -0.1150   -1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438   -1.3871   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2410   -2.2146    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594   -3.4942    0.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715   -1.8001    0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235   -2.6879    1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -0.5280    0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113   -0.1682    1.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.3630    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281   -0.9030   -0.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    0.0240    1.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    0.6041    2.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907    0.9842    3.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044    1.5662    4.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023    0.7575    2.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    1.1027    3.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648    0.1629    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971   -0.0524    0.7041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3368    0.8696   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322    1.9533   -0.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6356    0.6239   -0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2009    1.5905   -1.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4506    1.3401   -2.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0583    2.2731   -2.8997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0717    0.1494   -1.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3211   -0.1004   -2.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5202   -0.8254   -1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1612   -2.0388   -0.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2867   -0.5571   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869   -0.1912    0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787    0.2875   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2044    2.6105   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8614   -1.6848   -1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610   -4.1210    0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.3989    1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9021    0.8049    2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    1.8335    4.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    1.5224    4.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6973    2.5373   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5989    3.1402   -3.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8405   -0.9379   -2.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7119   -2.7157   -0.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8166   -1.3112    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705   -0.6475   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    1.2813   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 20 33  2  0
 10 34  2  0
 34  4  1  0
 33 14  1  0
 32 24  1  0
  3 35  1  0
  5 36  1  0
  7 37  1  0
  9 38  1  0
 15 39  1  0
 17 40  1  0
 19 41  1  0
 25 42  1  0
 27 43  1  0
 29 44  1  0
 31 45  1  0
 32 46  1  0
 33 47  1  0
 34 48  1  0
M  END
Download

3D SDF for HMDB0030559 (m-Trigallic acid)


  Mrv0541 05061305202D          

 34 36  0  0  0  0            999 V2000
   -1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    9.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29 19  2  0  0  0  0
 30 19  1  0  0  0  0
 31 20  2  0  0  0  0
 32 21  2  0  0  0  0
 33 14  1  0  0  0  0
 33 21  1  0  0  0  0
 34 15  1  0  0  0  0
 34 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030559

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)

> <INCHI_KEY>
QUXNYZHQBWMPNX-UHFFFAOYSA-N

> <FORMULA>
C21H14O13

> <MOLECULAR_WEIGHT>
474.3281

> <EXACT_MASS>
474.043440534

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
43.71425770257832

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid

> <ALOGPS_LOGP>
2.76

> <JCHEM_LOGP>
4.128742297666666

> <ALOGPS_LOGS>
-3.86

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.952379451364587

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9120334673285067

> <JCHEM_PKA_STRONGEST_BASIC>
-4.771491780994759

> <JCHEM_POLAR_SURFACE_AREA>
231.50999999999996

> <JCHEM_REFRACTIVITY>
110.78629999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.52e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0030559 (m-Trigallic acid)

HMDB0030559
     RDKit          3D
m-Trigallic acid
 48 50  0  0  0  0  0  0  0  0999 V2000
    8.2207    0.3952   -2.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1758    0.7789   -1.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7005    2.0498   -2.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4592   -0.1150   -1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9438   -1.3871   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2410   -2.2146    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594   -3.4942    0.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715   -1.8001    0.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4235   -2.6879    1.4890 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723   -0.5280    0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113   -0.1682    1.0864 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -0.3630    0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281   -0.9030   -0.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    0.0240    1.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    0.6041    2.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907    0.9842    3.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044    1.5662    4.4087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023    0.7575    2.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707    1.1027    3.1704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648    0.1629    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971   -0.0524    0.7041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3368    0.8696   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322    1.9533   -0.3144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6356    0.6239   -0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2009    1.5905   -1.5182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4506    1.3401   -2.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0583    2.2731   -2.8997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0717    0.1494   -1.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3211   -0.1004   -2.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5202   -0.8254   -1.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1612   -2.0388   -0.8102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2867   -0.5571   -0.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2869   -0.1912    0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2787    0.2875   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2044    2.6105   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8614   -1.6848   -1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2610   -4.1210    0.8464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.3989    1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9021    0.8049    2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    1.8335    4.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886    1.5224    4.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6973    2.5373   -1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5989    3.1402   -3.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8405   -0.9379   -2.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7119   -2.7157   -0.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8166   -1.3112    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3705   -0.6475   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    1.2813   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 20 33  2  0
 10 34  2  0
 34  4  1  0
 33 14  1  0
 32 24  1  0
  3 35  1  0
  5 36  1  0
  7 37  1  0
  9 38  1  0
 15 39  1  0
 17 40  1  0
 19 41  1  0
 25 42  1  0
 27 43  1  0
 29 44  1  0
 31 45  1  0
 32 46  1  0
 33 47  1  0
 34 48  1  0
M  END
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PDB for HMDB0030559 (m-Trigallic acid)

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      -2.667  15.400   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  16.170   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.334  17.710   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.002  13.860   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  16.170   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.002  10.780   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.335  13.860   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.001  11.550   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       8.002   9.240   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667  15.400   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
CONECT    1    7   12                                                       
CONECT    2    8   10                                                       
CONECT    3    8   11                                                       
CONECT    4    9   13                                                       
CONECT    5    7   14                                                       
CONECT    6    9   15                                                       
CONECT    7    1    5   19                                                  
CONECT    8    2    3   20                                                  
CONECT    9    4    6   21                                                  
CONECT   10    2   16   22                                                  
CONECT   11    3   16   23                                                  
CONECT   12    1   17   24                                                  
CONECT   13    4   18   25                                                  
CONECT   14    5   17   33                                                  
CONECT   15    6   18   34                                                  
CONECT   16   10   11   26                                                  
CONECT   17   12   14   27                                                  
CONECT   18   13   15   28                                                  
CONECT   19    7   29   30                                                  
CONECT   20    8   31   34                                                  
CONECT   21    9   32   33                                                  
CONECT   22   10                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26   16                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29   19                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33   14   21                                                       
CONECT   34   15   20                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END
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3D PDB for HMDB0030559 (m-Trigallic acid)

COMPND    HMDB0030559
HETATM    1  O1  UNL     1       8.221   0.395  -2.482  1.00  0.00           O  
HETATM    2  C1  UNL     1       7.176   0.779  -1.928  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.700   2.050  -2.156  1.00  0.00           O  
HETATM    4  C2  UNL     1       6.459  -0.115  -1.042  1.00  0.00           C  
HETATM    5  C3  UNL     1       6.944  -1.387  -0.821  1.00  0.00           C  
HETATM    6  C4  UNL     1       6.241  -2.215   0.026  1.00  0.00           C  
HETATM    7  O3  UNL     1       6.759  -3.494   0.228  1.00  0.00           O  
HETATM    8  C5  UNL     1       5.071  -1.800   0.653  1.00  0.00           C  
HETATM    9  O4  UNL     1       4.424  -2.688   1.489  1.00  0.00           O  
HETATM   10  C6  UNL     1       4.572  -0.528   0.442  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.411  -0.168   1.086  1.00  0.00           O  
HETATM   12  C7  UNL     1       2.141  -0.363   0.542  1.00  0.00           C  
HETATM   13  O6  UNL     1       2.128  -0.903  -0.606  1.00  0.00           O  
HETATM   14  C8  UNL     1       0.940   0.024   1.241  1.00  0.00           C  
HETATM   15  C9  UNL     1       0.982   0.604   2.477  1.00  0.00           C  
HETATM   16  C10 UNL     1      -0.191   0.984   3.164  1.00  0.00           C  
HETATM   17  O7  UNL     1      -0.104   1.566   4.409  1.00  0.00           O  
HETATM   18  C11 UNL     1      -1.402   0.758   2.557  1.00  0.00           C  
HETATM   19  O8  UNL     1      -2.571   1.103   3.170  1.00  0.00           O  
HETATM   20  C12 UNL     1      -1.465   0.163   1.288  1.00  0.00           C  
HETATM   21  O9  UNL     1      -2.697  -0.052   0.704  1.00  0.00           O  
HETATM   22  C13 UNL     1      -3.337   0.870  -0.114  1.00  0.00           C  
HETATM   23  O10 UNL     1      -2.732   1.953  -0.314  1.00  0.00           O  
HETATM   24  C14 UNL     1      -4.636   0.624  -0.720  1.00  0.00           C  
HETATM   25  C15 UNL     1      -5.201   1.590  -1.518  1.00  0.00           C  
HETATM   26  C16 UNL     1      -6.451   1.340  -2.094  1.00  0.00           C  
HETATM   27  O11 UNL     1      -7.058   2.273  -2.900  1.00  0.00           O  
HETATM   28  C17 UNL     1      -7.072   0.149  -1.850  1.00  0.00           C  
HETATM   29  O12 UNL     1      -8.321  -0.100  -2.426  1.00  0.00           O  
HETATM   30  C18 UNL     1      -6.520  -0.825  -1.055  1.00  0.00           C  
HETATM   31  O13 UNL     1      -7.161  -2.039  -0.810  1.00  0.00           O  
HETATM   32  C19 UNL     1      -5.287  -0.557  -0.497  1.00  0.00           C  
HETATM   33  C20 UNL     1      -0.287  -0.191   0.657  1.00  0.00           C  
HETATM   34  C21 UNL     1       5.279   0.288  -0.403  1.00  0.00           C  
HETATM   35  H1  UNL     1       6.204   2.610  -1.472  1.00  0.00           H  
HETATM   36  H2  UNL     1       7.861  -1.685  -1.325  1.00  0.00           H  
HETATM   37  H3  UNL     1       6.261  -4.121   0.846  1.00  0.00           H  
HETATM   38  H4  UNL     1       3.572  -2.399   1.951  1.00  0.00           H  
HETATM   39  H5  UNL     1       1.902   0.805   2.998  1.00  0.00           H  
HETATM   40  H6  UNL     1      -0.937   1.834   4.891  1.00  0.00           H  
HETATM   41  H7  UNL     1      -2.689   1.522   4.050  1.00  0.00           H  
HETATM   42  H8  UNL     1      -4.697   2.537  -1.707  1.00  0.00           H  
HETATM   43  H9  UNL     1      -6.599   3.140  -3.074  1.00  0.00           H  
HETATM   44  H10 UNL     1      -8.840  -0.938  -2.300  1.00  0.00           H  
HETATM   45  H11 UNL     1      -6.712  -2.716  -0.221  1.00  0.00           H  
HETATM   46  H12 UNL     1      -4.817  -1.311   0.142  1.00  0.00           H  
HETATM   47  H13 UNL     1      -0.370  -0.647  -0.320  1.00  0.00           H  
HETATM   48  H14 UNL     1       4.903   1.281  -0.578  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   35
CONECT    4    5    5   34
CONECT    5    6   36
CONECT    6    7    8    8
CONECT    7   37
CONECT    8    9   10
CONECT    9   38
CONECT   10   11   34   34
CONECT   11   12
CONECT   12   13   13   14
CONECT   14   15   15   33
CONECT   15   16   39
CONECT   16   17   18   18
CONECT   17   40
CONECT   18   19   20
CONECT   19   41
CONECT   20   21   33   33
CONECT   21   22
CONECT   22   23   23   24
CONECT   24   25   25   32
CONECT   25   26   42
CONECT   26   27   28   28
CONECT   27   43
CONECT   28   29   30
CONECT   29   44
CONECT   30   31   32   32
CONECT   31   45
CONECT   32   46
CONECT   33   47
CONECT   34   48
END
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SMILES for HMDB0030559 (m-Trigallic acid)

OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1
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INCHI for HMDB0030559 (m-Trigallic acid)

InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
m-TrigallateGenerator
3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid 5-carboxy-2,3-dihydroxyphenyl ester, 9ciHMDB
Metatrigallic acidHMDB
3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoateHMDB
Chemical FormulaC21H14O13
Average Molecular Weight474.3281
Monoisotopic Molecular Weight474.043440534
IUPAC Name3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid
Traditional Name3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid
CAS Registry Number2131-66-0
SMILES
OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1
InChI Identifier
InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
InChI KeyQUXNYZHQBWMPNX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassDepsides and depsidones
Sub ClassNot Available
Direct ParentDepsides and depsidones
Alternative Parents
Substituents
  • Depside backbone
  • Galloyl ester
  • Gallic acid or derivatives
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Dihydroxybenzoic acid
  • Hydroxybenzoic acid
  • Phenol ester
  • Benzoate ester
  • Benzoic acid
  • Benzenetriol
  • Benzoic acid or derivatives
  • Pyrogallol derivative
  • Tricarboxylic acid or derivatives
  • Benzoyl
  • Catechol
  • Phenoxy compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Carboxylic acid ester
  • Polyol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point228 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility515.3 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.065 g/LALOGPS
logP2.76ALOGPS
logP4.13ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)3.91ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area231.51 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity110.79 m³·mol⁻¹ChemAxon
Polarizability43.71 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+209.31331661259
DarkChem[M-H]-206.16831661259
DeepCCS[M+H]+202.51730932474
DeepCCS[M-H]-200.12130932474
DeepCCS[M-2H]-233.00530932474
DeepCCS[M+Na]+208.42930932474
AllCCS[M+H]+201.832859911
AllCCS[M+H-H2O]+199.732859911
AllCCS[M+NH4]+203.732859911
AllCCS[M+Na]+204.332859911
AllCCS[M-H]-197.332859911
AllCCS[M+Na-2H]-197.032859911
AllCCS[M+HCOO]-196.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
m-Trigallic acidOC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C16896.8Standard polar33892256
m-Trigallic acidOC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C13956.1Standard non polar33892256
m-Trigallic acidOC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14259.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
m-Trigallic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14578.0Semi standard non polar33892256
m-Trigallic acid,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O4613.5Semi standard non polar33892256
m-Trigallic acid,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C14544.0Semi standard non polar33892256
m-Trigallic acid,1TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O4608.6Semi standard non polar33892256
m-Trigallic acid,1TMS,isomer #5C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)C=C1OC(=O)C1=CC(O)=C(O)C(O)=C14548.1Semi standard non polar33892256
m-Trigallic acid,1TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O)=C1O4550.0Semi standard non polar33892256
m-Trigallic acid,1TMS,isomer #7C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)C=C1O4516.4Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14392.7Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C1O4340.0Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O[Si](C)(C)C4398.8Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O4378.4Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C14323.8Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O)=C1O4310.8Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O)C=C1O4285.2Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O4345.8Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O4337.9Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C4375.0Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O4303.5Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14343.6Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #20C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C)C=C1O4278.8Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O4336.3Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C4299.7Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14395.1Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14346.2Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14338.6Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C14317.2Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C1O4420.0Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O4375.4Semi standard non polar33892256
m-Trigallic acid,2TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)=CC(O)=C2O)=CC(O)=C1O4353.5Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14269.0Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14206.2Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #11C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14162.7Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14243.2Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #13C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14164.0Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #14C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C14118.1Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #15C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14194.1Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #16C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14161.1Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O4234.0Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C1O4202.4Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4276.9Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14229.4Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O4292.4Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O4190.5Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C1O4176.9Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O[Si](C)(C)C4257.6Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O)=C1O4234.8Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C1O4221.4Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C1O4181.9Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C1O[Si](C)(C)C4193.3Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O4192.5Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O4181.0Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14203.4Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C4243.8Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O4160.2Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #32C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)C=C1O4151.1Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O4178.5Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C4152.2Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O4218.9Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O4217.4Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4181.2Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C4178.6Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4174.0Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14158.6Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4148.5Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4214.3Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14241.8Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #6C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14228.7Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14199.7Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14160.0Semi standard non polar33892256
m-Trigallic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C14117.4Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14080.4Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14101.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #11C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14073.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #12C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14052.0Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #13C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14161.3Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14169.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14035.3Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #16C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C14127.9Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #17C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14047.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #18C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14046.9Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #19C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14079.6Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14200.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #20C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14067.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #21C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14106.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #22C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14081.6Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #23C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14050.5Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #24C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14050.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #25C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14112.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O)=CC(O)=C1O4141.6Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O4135.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C1O4115.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C1O4109.9Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14194.1Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4121.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O4126.4Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C4239.1Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O4120.1Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C1O4087.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C1O4087.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C1O[Si](C)(C)C4106.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O4129.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C4116.5Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C1O4140.9Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14184.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O4115.9Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O4091.6Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4090.9Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C1O[Si](C)(C)C4100.7Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4069.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4073.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4115.5Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4123.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4112.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4141.8Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14053.3Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4115.6Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #6C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14164.2Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #7C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14171.3Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14076.6Semi standard non polar33892256
m-Trigallic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14063.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14171.7Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #10C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14048.7Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #11C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14130.2Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #12C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14098.4Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #13C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14065.2Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #14C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14062.0Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #15C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14142.9Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #16C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14139.2Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #17C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14050.7Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #18C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14126.7Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #19C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C14121.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #2C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14172.4Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #20C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14108.1Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #21C[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14069.1Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #22C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C14099.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #23C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14072.5Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #24C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C14065.3Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #25C[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C14071.7Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O4123.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C1O4119.8Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4112.9Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4119.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #3C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14073.9Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4108.0Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C1O4145.0Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C4112.1Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4092.3Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4084.5Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C1O4110.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C1O[Si](C)(C)C4123.4Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4090.6Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4078.9Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O4113.4Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14069.4Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C)=CC(O)=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4082.0Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C1O[Si](C)(C)C4124.3Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(O)C(O[Si](C)(C)C)=C14165.4Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #6C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14156.8Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #7C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14152.2Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #8C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14147.5Semi standard non polar33892256
m-Trigallic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C)=C14142.8Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14933.4Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O4947.2Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C14894.3Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O4940.4Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)C=C1OC(=O)C1=CC(O)=C(O)C(O)=C14896.9Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O)=C1O4912.0Semi standard non polar33892256
m-Trigallic acid,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)C=C1O4934.7Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C(C)(C)C)=C15019.2Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C1O5028.4Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O[Si](C)(C)C(C)(C)C4971.8Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O5008.1Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)O)C=C1OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C14960.7Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)=CC(O)=C1O4968.9Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)C=C1O4974.9Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)=CC(O)=C1O5007.6Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O5023.7Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C4946.8Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4963.5Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14973.9Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C=C1O4971.2Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4990.5Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4942.9Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C15018.1Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14976.8Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C14979.0Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C14987.4Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O5061.5Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O5009.2Semi standard non polar33892256
m-Trigallic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)=CC(O)=C2O)=CC(O)=C1O5011.0Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C(O)C(O[Si](C)(C)C(C)(C)C)=C15079.1Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C15014.7Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C15081.8Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C15010.0Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C14978.4Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C15043.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C15011.2Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C14966.2Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2O)=CC(O)=C1O5050.9Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O5172.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O5032.2Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C(C)(C)C)=C15031.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O5055.9Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O5009.8Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C1O5123.7Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1O[Si](C)(C)C(C)(C)C5017.0Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O[Si](C)(C)C(C)(C)C)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)=CC(O)=C1O5016.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C1O5043.2Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C1O4994.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C(=O)O)=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C1O[Si](C)(C)C(C)(C)C5018.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C2O)=CC(O)=C1O5016.1Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O5127.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C(O)C(O[Si](C)(C)C(C)(C)C)=C15011.8Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C5000.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4981.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O[Si](C)(C)C(C)(C)C)C=C1O5076.1Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O5006.8Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O[Si](C)(C)C(C)(C)C)=CC(O)=C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4965.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4987.1Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O5035.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)=C1O4990.4Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)O)=CC(O)=C2O)=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C1O[Si](C)(C)C(C)(C)C4990.2Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O4994.3Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C(O)C(O[Si](C)(C)C(C)(C)C)=C15077.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C4955.3Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(C(=O)OC3=CC(C(=O)O)=CC(O)=C3O)=CC(O)=C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4975.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C15006.5Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C15027.7Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C14991.4Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)=C2)=C14974.6Semi standard non polar33892256
m-Trigallic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)=C2)=C15038.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - m-Trigallic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udi-0911000000-348d08e7df842a98eddc2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - m-Trigallic acid GC-MS (3 TMS) - 70eV, Positivesplash10-0fb9-1907002000-e4ece7d758ae94f7e0882017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - m-Trigallic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 10V, Positive-QTOFsplash10-0kdi-0614900000-1201f6bb101c9c3994ca2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 20V, Positive-QTOFsplash10-0zi0-0923400000-b206f66b6cd63de0a5e22016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 40V, Positive-QTOFsplash10-0zfr-1920000000-5857397eaa90ceb950412016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 10V, Negative-QTOFsplash10-00fr-0301900000-152f4b8c99231f10c7b22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 20V, Negative-QTOFsplash10-0fi0-0922600000-2b4631ad14bcd50bdefa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 40V, Negative-QTOFsplash10-0gdi-0900000000-78388e036ee73fdef5ed2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 10V, Positive-QTOFsplash10-056r-0402900000-221aeaad772eaf427bbe2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 20V, Positive-QTOFsplash10-0a6r-0304900000-b460ee4d5fe540b5636e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 40V, Positive-QTOFsplash10-0udi-4901400000-50fb4771036911b3007e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 10V, Negative-QTOFsplash10-00di-0300900000-19a355d3bb50327d98cf2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 20V, Negative-QTOFsplash10-0m90-0912600000-af8bdfaf5d9cc5384cae2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - m-Trigallic acid 40V, Negative-QTOFsplash10-0udi-3690600000-699040b3623e3a60d23f2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002443
KNApSAcK IDC00058017
Chemspider ID30776834
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound90470472
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1821031
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.. .

Enzymes

Enzyme Details
1. Catechol O-methyltransferase
General function:
Involved in magnesium ion binding
Specific function:
Catalyzes the O-methylation, and thereby the inactivation, of catecholamine neurotransmitters and catechol hormones. Also shortens the biological half-lives of certain neuroactive drugs, like L-DOPA, alpha-methyl DOPA and isoproterenol.
Gene Name:
COMT
Uniprot ID:
P21964
Molecular weight:
30036.77
Reactions
m-Trigallic acid → 3,4-dihydroxy-5-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic aciddetails
m-Trigallic acid → 3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-5-hydroxy-4-methoxybenzoic aciddetails
Enzyme Details
2. UDP-glucuronosyltransferase 1-1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
m-Trigallic acid → 6-[5-({5-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,3-dihydroxyphenoxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
m-Trigallic acid → 6-[4-({5-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,3-dihydroxyphenoxy}carbonyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
m-Trigallic acid → 6-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2-hydroxy-6-(3,4,5-trihydroxybenzoyloxy)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
m-Trigallic acid → 6-{5-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2-hydroxy-3-(3,4,5-trihydroxybenzoyloxy)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
m-Trigallic acid → 6-{4-carboxy-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-6-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
m-Trigallic acid → 6-{5-carboxy-3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
m-Trigallic acid → 6-{3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
Enzyme Details
3. Liver carboxylesterase 1
General function:
Lipid transport and metabolism
Specific function:
Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.
Gene Name:
CES1
Uniprot ID:
P23141
Molecular weight:
62520.62
Reactions
m-Trigallic acid → 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic aciddetails
m-Trigallic acid → Gallic aciddetails
Enzyme Details
4. Glycine N-acyltransferase
General function:
Involved in glycine N-acyltransferase activity
Specific function:
Mitochondrial acyltransferase which transfers an acyl group to the N-terminus of glycine and glutamine, although much less efficiently. Can conjugate numerous substrates to form a variety of N-acylglycines, with a preference for benzoyl-CoA over phenylacetyl-CoA as acyl donors. Thereby detoxify xenobiotics, such as benzoic acid or salicylic acid, and endogenous organic acids, such as isovaleric acid.
Gene Name:
GLYAT
Uniprot ID:
Q6IB77
Molecular weight:
18506.33
Reactions
m-Trigallic acid → 2-[({3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxyphenyl}(hydroxy)methylidene)amino]acetic aciddetails
Enzyme Details
5. Sulfotransferase 1A3
General function:
sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:
SULT1A3
Uniprot ID:
P0DMM9
Molecular weight:
34195.96
Reactions
m-Trigallic acid → 3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-4,5-dihydroxybenzoic aciddetails
m-Trigallic acid → 3,4-dihydroxy-5-[3-hydroxy-4-(sulfooxy)-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic aciddetails
m-Trigallic acid → 3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-5-hydroxy-4-(sulfooxy)benzoic aciddetails