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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:38:13 UTC

Update Date

2022-03-07 02:52:38 UTC

HMDB ID

HMDB0030658

Secondary Accession Numbers

HMDB30658

Metabolite Identification

Common Name

Carmine red

Description

Carminic acid, also known as carminate or coccinellin, belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Based on a literature review very few articles have been published on Carminic acid.

Structure

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


  Mrv0541 05061305252D          

 35 38  0  0  0  0            999 V2000
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    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    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   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
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  2  0  0  0  0
 11 10  2  0  0  0  0
 13  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23  3  1  0  0  0  0
 24  6  1  0  0  0  0
 25 13  2  0  0  0  0
 26 14  1  0  0  0  0
 27 15  2  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32 20  1  0  0  0  0
 33 22  2  0  0  0  0
 34 22  1  0  0  0  0
 35  7  1  0  0  0  0
 35 21  1  0  0  0  0
M  END

HMDB0030658
     RDKit          3D
Carmine red
 55 58  0  0  0  0  0  0  0  0999 V2000
    4.9043    2.1084    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    0.6856    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   -0.0445   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256    0.4994    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   -0.3143    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742    1.7317    0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9386   -1.3777   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1197   -2.1070   -0.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437   -1.9643   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509   -1.2598   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.0583   -0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609    0.7317   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732    1.9315    0.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.0595   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157    0.7432    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    2.0437    0.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    0.1016    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    0.8606    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4664    0.8110   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7542    0.9641   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7412    1.5382   -1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9483    0.8244   -2.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2666   -0.3720    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5804   -0.1479    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634   -0.6876    1.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055   -0.4741    2.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1963    0.1562    1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978    1.1714    2.6277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.2045   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -1.9051   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.9108   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -3.2099   -1.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243   -1.2492   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -1.9465   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -3.1264   -1.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    2.7598   -0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    2.2854    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8905    2.5054    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3876    2.2897    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1199   -3.0838   -0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6666   -3.0071   -1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    2.7041    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032    1.9117    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7434    1.6660    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    2.5687   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7187    1.6061   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1383    1.3985   -3.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2143   -1.1131   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8887   -0.8624    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -1.7803    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6476   -0.0636    3.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749   -0.4550    2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.6389    2.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121   -2.8523   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -3.8354   -1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 17 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  2  0
 11  2  1  0
 33 14  1  0
 34 10  1  0
 27 18  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  6 39  1  0
  8 40  1  0
  9 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 21 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 30 54  1  0
 32 55  1  0
M  END


  Mrv0541 05061305252D          

 35 38  0  0  0  0            999 V2000
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    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    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   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
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
  9  6  2  0  0  0  0
 11 10  2  0  0  0  0
 13  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23  3  1  0  0  0  0
 24  6  1  0  0  0  0
 25 13  2  0  0  0  0
 26 14  1  0  0  0  0
 27 15  2  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32 20  1  0  0  0  0
 33 22  2  0  0  0  0
 34 22  1  0  0  0  0
 35  7  1  0  0  0  0
 35 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030658

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)

> <INCHI_KEY>
DGQLVPJVXFOQEV-UHFFFAOYSA-N

> <FORMULA>
C22H20O13

> <MOLECULAR_WEIGHT>
492.3864

> <EXACT_MASS>
492.090390726

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
46.53657631314245

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracene-2-carboxylic acid

> <ALOGPS_LOGP>
0.20

> <JCHEM_LOGP>
1.0681281803333333

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.221596256951542

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.2163415635527657

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6447309069604774

> <JCHEM_POLAR_SURFACE_AREA>
242.50999999999996

> <JCHEM_REFRACTIVITY>
114.49029999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carmine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0030658
     RDKit          3D
Carmine red
 55 58  0  0  0  0  0  0  0  0999 V2000
    4.9043    2.1084    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    0.6856    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   -0.0445   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256    0.4994    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   -0.3143    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742    1.7317    0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9386   -1.3777   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1197   -2.1070   -0.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437   -1.9643   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509   -1.2598   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.0583   -0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609    0.7317   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732    1.9315    0.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.0595   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157    0.7432    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    2.0437    0.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    0.1016    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    0.8606    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4664    0.8110   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7542    0.9641   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7412    1.5382   -1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9483    0.8244   -2.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2666   -0.3720    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5804   -0.1479    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634   -0.6876    1.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055   -0.4741    2.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1963    0.1562    1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978    1.1714    2.6277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.2045   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -1.9051   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.9108   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -3.2099   -1.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243   -1.2492   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -1.9465   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -3.1264   -1.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    2.7598   -0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    2.2854    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8905    2.5054    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3876    2.2897    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1199   -3.0838   -0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6666   -3.0071   -1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    2.7041    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032    1.9117    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7434    1.6660    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    2.5687   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7187    1.6061   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1383    1.3985   -3.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2143   -1.1131   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8887   -0.8624    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -1.7803    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6476   -0.0636    3.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749   -0.4550    2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.6389    2.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121   -2.8523   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -3.8354   -1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 17 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  2  0
 11  2  1  0
 33 14  1  0
 34 10  1  0
 27 18  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  6 39  1  0
  8 40  1  0
  9 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 21 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 30 54  1  0
 32 55  1  0
M  END

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       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    4                                                            
CONECT    2    5    6                                                       
CONECT    3    7   23                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2    8   13                                                  
CONECT    6    2    9   24                                                  
CONECT    7    3   14   35                                                  
CONECT    8    4    5   15                                                  
CONECT    9    4    6   22                                                  
CONECT   10   11   13   17                                                  
CONECT   11   10   15   16                                                  
CONECT   12   16   18   21                                                  
CONECT   13    5   10   25                                                  
CONECT   14    7   19   26                                                  
CONECT   15    8   11   27                                                  
CONECT   16   11   12   28                                                  
CONECT   17   10   18   29                                                  
CONECT   18   12   17   30                                                  
CONECT   19   14   20   31                                                  
CONECT   20   19   21   32                                                  
CONECT   21   12   20   35                                                  
CONECT   22    9   33   34                                                  
CONECT   23    3                                                            
CONECT   24    6                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32   20                                                            
CONECT   33   22                                                            
CONECT   34   22                                                            
CONECT   35    7   21                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0030658
HETATM    1  C1  UNL     1       4.904   2.108   0.431  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.858   0.686   0.025  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.040  -0.045  -0.114  1.00  0.00           C  
HETATM    4  C4  UNL     1       7.326   0.499   0.242  1.00  0.00           C  
HETATM    5  O1  UNL     1       8.331  -0.314   0.139  1.00  0.00           O  
HETATM    6  O2  UNL     1       7.674   1.732   0.675  1.00  0.00           O  
HETATM    7  C5  UNL     1       5.939  -1.378  -0.535  1.00  0.00           C  
HETATM    8  O3  UNL     1       7.120  -2.107  -0.670  1.00  0.00           O  
HETATM    9  C6  UNL     1       4.744  -1.964  -0.805  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.551  -1.260  -0.670  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.637   0.058  -0.256  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.361   0.732  -0.036  1.00  0.00           C  
HETATM   13  O4  UNL     1       2.373   1.931   0.341  1.00  0.00           O  
HETATM   14  C10 UNL     1       1.062   0.059  -0.233  1.00  0.00           C  
HETATM   15  C11 UNL     1      -0.116   0.743   0.120  1.00  0.00           C  
HETATM   16  O5  UNL     1      -0.009   2.044   0.509  1.00  0.00           O  
HETATM   17  C12 UNL     1      -1.339   0.102   0.071  1.00  0.00           C  
HETATM   18  C13 UNL     1      -2.561   0.861   0.449  1.00  0.00           C  
HETATM   19  O6  UNL     1      -3.466   0.811  -0.661  1.00  0.00           O  
HETATM   20  C14 UNL     1      -4.754   0.964  -0.242  1.00  0.00           C  
HETATM   21  C15 UNL     1      -5.741   1.538  -1.188  1.00  0.00           C  
HETATM   22  O7  UNL     1      -5.948   0.824  -2.352  1.00  0.00           O  
HETATM   23  C16 UNL     1      -5.267  -0.372   0.306  1.00  0.00           C  
HETATM   24  O8  UNL     1      -6.580  -0.148   0.687  1.00  0.00           O  
HETATM   25  C17 UNL     1      -4.363  -0.688   1.480  1.00  0.00           C  
HETATM   26  O9  UNL     1      -5.205  -0.474   2.626  1.00  0.00           O  
HETATM   27  C18 UNL     1      -3.196   0.156   1.606  1.00  0.00           C  
HETATM   28  O10 UNL     1      -3.398   1.171   2.628  1.00  0.00           O  
HETATM   29  C19 UNL     1      -1.370  -1.204  -0.344  1.00  0.00           C  
HETATM   30  O11 UNL     1      -2.560  -1.905  -0.426  1.00  0.00           O  
HETATM   31  C20 UNL     1      -0.192  -1.911  -0.713  1.00  0.00           C  
HETATM   32  O12 UNL     1      -0.323  -3.210  -1.118  1.00  0.00           O  
HETATM   33  C21 UNL     1       1.024  -1.249  -0.642  1.00  0.00           C  
HETATM   34  C22 UNL     1       2.287  -1.947  -0.877  1.00  0.00           C  
HETATM   35  O13 UNL     1       2.317  -3.126  -1.257  1.00  0.00           O  
HETATM   36  H1  UNL     1       4.194   2.760  -0.168  1.00  0.00           H  
HETATM   37  H2  UNL     1       4.824   2.285   1.496  1.00  0.00           H  
HETATM   38  H3  UNL     1       5.891   2.505   0.020  1.00  0.00           H  
HETATM   39  H4  UNL     1       8.388   2.290   0.210  1.00  0.00           H  
HETATM   40  H5  UNL     1       7.120  -3.084  -0.968  1.00  0.00           H  
HETATM   41  H6  UNL     1       4.667  -3.007  -1.134  1.00  0.00           H  
HETATM   42  H7  UNL     1      -0.682   2.704   0.792  1.00  0.00           H  
HETATM   43  H8  UNL     1      -2.403   1.912   0.608  1.00  0.00           H  
HETATM   44  H9  UNL     1      -4.743   1.666   0.652  1.00  0.00           H  
HETATM   45  H10 UNL     1      -5.479   2.569  -1.462  1.00  0.00           H  
HETATM   46  H11 UNL     1      -6.719   1.606  -0.603  1.00  0.00           H  
HETATM   47  H12 UNL     1      -6.138   1.398  -3.134  1.00  0.00           H  
HETATM   48  H13 UNL     1      -5.214  -1.113  -0.508  1.00  0.00           H  
HETATM   49  H14 UNL     1      -6.889  -0.862   1.314  1.00  0.00           H  
HETATM   50  H15 UNL     1      -4.162  -1.780   1.560  1.00  0.00           H  
HETATM   51  H16 UNL     1      -4.648  -0.064   3.309  1.00  0.00           H  
HETATM   52  H17 UNL     1      -2.375  -0.455   2.111  1.00  0.00           H  
HETATM   53  H18 UNL     1      -2.523   1.639   2.662  1.00  0.00           H  
HETATM   54  H19 UNL     1      -2.612  -2.852  -0.725  1.00  0.00           H  
HETATM   55  H20 UNL     1       0.345  -3.835  -1.413  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    3   11
CONECT    3    4    7
CONECT    4    5    5    6
CONECT    6   39
CONECT    7    8    9    9
CONECT    8   40
CONECT    9   10   41
CONECT   10   11   11   34
CONECT   11   12
CONECT   12   13   13   14
CONECT   14   15   15   33
CONECT   15   16   17
CONECT   16   42
CONECT   17   18   29   29
CONECT   18   19   27   43
CONECT   19   20
CONECT   20   21   23   44
CONECT   21   22   45   46
CONECT   22   47
CONECT   23   24   25   48
CONECT   24   49
CONECT   25   26   27   50
CONECT   26   51
CONECT   27   28   52
CONECT   28   53
CONECT   29   30   31
CONECT   30   54
CONECT   31   32   33   33
CONECT   32   55
CONECT   33   34
CONECT   34   35   35
END

HMDB0030658
     RDKit          3D
Carmine red
 55 58  0  0  0  0  0  0  0  0999 V2000
    4.9043    2.1084    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    0.6856    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   -0.0445   -0.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256    0.4994    0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   -0.3143    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742    1.7317    0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9386   -1.3777   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1197   -2.1070   -0.6702 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437   -1.9643   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509   -1.2598   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.0583   -0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3609    0.7317   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3732    1.9315    0.3410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    0.0595   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1157    0.7432    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    2.0437    0.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3393    0.1016    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    0.8606    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4664    0.8110   -0.6605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7542    0.9641   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7412    1.5382   -1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9483    0.8244   -2.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2666   -0.3720    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5804   -0.1479    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634   -0.6876    1.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055   -0.4741    2.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1963    0.1562    1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978    1.1714    2.6277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.2045   -0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -1.9051   -0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1916   -1.9108   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -3.2099   -1.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243   -1.2492   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2873   -1.9465   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -3.1264   -1.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    2.7598   -0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    2.2854    1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8905    2.5054    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3876    2.2897    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1199   -3.0838   -0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6666   -3.0071   -1.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    2.7041    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4032    1.9117    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7434    1.6660    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4786    2.5687   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7187    1.6061   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1383    1.3985   -3.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2143   -1.1131   -0.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8887   -0.8624    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1620   -1.7803    1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6476   -0.0636    3.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3749   -0.4550    2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    1.6389    2.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121   -2.8523   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -3.8354   -1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 17 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  2  0
 11  2  1  0
 33 14  1  0
 34 10  1  0
 27 18  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  6 39  1  0
  8 40  1  0
  9 41  1  0
 16 42  1  0
 18 43  1  0
 20 44  1  0
 21 45  1  0
 21 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 26 51  1  0
 27 52  1  0
 28 53  1  0
 30 54  1  0
 32 55  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Carminate	Generator
7-Glucopyranosyl-3,5,6,8-tetrahydroxyl-1-methyl-9,10-dioxoanthracene-2-carboxylic acid	MeSH
Coccinellin	MeSH
Cochineal dye	MeSH
Dye, cochineal	MeSH
Natural red 4	MeSH
7-Glucopyranosyl-3,4,5,8-tetrahydroxy-1-methylanthraquinone-2-carboxylic acid	HMDB
C. i. 75470	HMDB
Carminic acid	HMDB
CI natural red 4	HMDB
Coccus cacti extract	HMDB
Cochineal	HMDB
Cochineal extract	HMDB
e120	HMDB
FEMA 2330	HMDB
San-ei gen san red 1	HMDB
Sanred 1	HMDB
Sun red 1	HMDB
Sun red no. 1	HMDB
3,5,6,8-Tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracene-2-carboxylate	Generator
Carmine	MeSH

Chemical Formula

C₂₂H₂₀O₁₃

Average Molecular Weight

492.3864

Monoisotopic Molecular Weight

492.090390726

IUPAC Name

3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracene-2-carboxylic acid

Traditional Name

carmine

CAS Registry Number

1260-17-9

SMILES

CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O

InChI Identifier

InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)

InChI Key

DGQLVPJVXFOQEV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Anthracenes

Sub Class

Anthracenecarboxylic acids and derivatives

Direct Parent

Anthracenecarboxylic acids

Alternative Parents

Substituents

Anthracene carboxylic acid
9,10-anthraquinone
Anthraquinone
Hydroxyanthraquinone
Phenolic glycoside
2-naphthalenecarboxylic acid
2-naphthalenecarboxylic acid or derivatives
Hexose monosaccharide
C-glycosyl compound
Glycosyl compound
Hydroxybenzoic acid
Salicylic acid or derivatives
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
Oxane
Monosaccharide
Vinylogous acid
Secondary alcohol
Ketone
Polyol
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Primary alcohol
Alcohol
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030658)
Cytoplasm (HMDB: HMDB0030658)

Source

Exogenous

Food

Food (HMDB: HMDB0030658)

Synthetic

Personal care products

Personal care products (HMDB: HMDB0030658)

Process

Not Available

Role

Industrial application

Personal care product

Personal care product (HMDB: HMDB0030658)

Food and nutrition

Food and nutrition (HMDB: HMDB0030658)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	136 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	1.3 mg/mL at 25 °C	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.31 g/L	ALOGPS
logP	0.2	ALOGPS
logP	1.07	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	2.22	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	242.51 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	114.49 m³·mol⁻¹	ChemAxon
Polarizability	46.54 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	211.175	31661259
DarkChem	[M-H]-	207.474	31661259
DeepCCS	[M+H]+	209.66	30932474
DeepCCS	[M-H]-	207.264	30932474
DeepCCS	[M-2H]-	240.146	30932474
DeepCCS	[M+Na]+	215.572	30932474
AllCCS	[M+H]+	211.2	32859911
AllCCS	[M+H-H2O]+	209.1	32859911
AllCCS	[M+NH4]+	213.2	32859911
AllCCS	[M+Na]+	213.7	32859911
AllCCS	[M-H]-	211.2	32859911
AllCCS	[M+Na-2H]-	212.0	32859911
AllCCS	[M+HCOO]-	213.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Carmine red	CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O	5201.6	Standard polar	33892256
Carmine red	CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O	2931.8	Standard non polar	33892256
Carmine red	CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O	4325.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Carmine red,1TMS,isomer #1	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4352.1	Semi standard non polar	33892256
Carmine red,1TMS,isomer #2	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4350.3	Semi standard non polar	33892256
Carmine red,1TMS,isomer #3	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4334.7	Semi standard non polar	33892256
Carmine red,1TMS,isomer #4	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4332.4	Semi standard non polar	33892256
Carmine red,1TMS,isomer #5	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4332.2	Semi standard non polar	33892256
Carmine red,1TMS,isomer #6	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4316.5	Semi standard non polar	33892256
Carmine red,1TMS,isomer #7	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4323.0	Semi standard non polar	33892256
Carmine red,1TMS,isomer #8	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4371.4	Semi standard non polar	33892256
Carmine red,1TMS,isomer #9	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4332.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #1	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4231.7	Semi standard non polar	33892256
Carmine red,2TMS,isomer #10	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4285.3	Semi standard non polar	33892256
Carmine red,2TMS,isomer #11	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4262.6	Semi standard non polar	33892256
Carmine red,2TMS,isomer #12	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4213.3	Semi standard non polar	33892256
Carmine red,2TMS,isomer #13	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4202.5	Semi standard non polar	33892256
Carmine red,2TMS,isomer #14	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4205.4	Semi standard non polar	33892256
Carmine red,2TMS,isomer #15	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4209.6	Semi standard non polar	33892256
Carmine red,2TMS,isomer #16	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4202.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #17	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4271.3	Semi standard non polar	33892256
Carmine red,2TMS,isomer #18	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4210.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #19	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4225.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #2	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4294.4	Semi standard non polar	33892256
Carmine red,2TMS,isomer #20	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4218.6	Semi standard non polar	33892256
Carmine red,2TMS,isomer #21	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4206.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #22	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4185.1	Semi standard non polar	33892256
Carmine red,2TMS,isomer #23	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4263.1	Semi standard non polar	33892256
Carmine red,2TMS,isomer #24	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4214.9	Semi standard non polar	33892256
Carmine red,2TMS,isomer #25	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4229.5	Semi standard non polar	33892256
Carmine red,2TMS,isomer #26	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4208.4	Semi standard non polar	33892256
Carmine red,2TMS,isomer #27	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4168.5	Semi standard non polar	33892256
Carmine red,2TMS,isomer #28	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4237.7	Semi standard non polar	33892256
Carmine red,2TMS,isomer #29	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4200.6	Semi standard non polar	33892256
Carmine red,2TMS,isomer #3	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4246.1	Semi standard non polar	33892256
Carmine red,2TMS,isomer #30	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4226.0	Semi standard non polar	33892256
Carmine red,2TMS,isomer #31	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4173.9	Semi standard non polar	33892256
Carmine red,2TMS,isomer #32	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4256.0	Semi standard non polar	33892256
Carmine red,2TMS,isomer #33	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4213.3	Semi standard non polar	33892256
Carmine red,2TMS,isomer #34	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4219.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #35	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4283.4	Semi standard non polar	33892256
Carmine red,2TMS,isomer #36	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4272.5	Semi standard non polar	33892256
Carmine red,2TMS,isomer #4	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4229.7	Semi standard non polar	33892256
Carmine red,2TMS,isomer #5	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4219.6	Semi standard non polar	33892256
Carmine red,2TMS,isomer #6	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4209.3	Semi standard non polar	33892256
Carmine red,2TMS,isomer #7	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4218.8	Semi standard non polar	33892256
Carmine red,2TMS,isomer #8	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4253.0	Semi standard non polar	33892256
Carmine red,2TMS,isomer #9	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4216.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #1	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4156.9	Semi standard non polar	33892256
Carmine red,3TMS,isomer #10	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4185.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #11	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4144.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #12	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4189.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #13	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4186.3	Semi standard non polar	33892256
Carmine red,3TMS,isomer #14	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4110.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #15	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4117.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #16	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4092.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #17	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4120.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #18	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4160.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #19	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4162.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #2	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4086.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #20	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4145.0	Semi standard non polar	33892256
Carmine red,3TMS,isomer #21	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4145.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #22	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4109.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #23	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4171.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #24	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4159.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #25	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4130.0	Semi standard non polar	33892256
Carmine red,3TMS,isomer #26	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4170.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #27	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4101.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #28	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4131.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #29	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4136.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #3	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4088.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #30	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4093.0	Semi standard non polar	33892256
Carmine red,3TMS,isomer #31	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4062.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #32	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4070.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #33	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4071.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #34	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4075.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #35	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4199.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #36	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4157.9	Semi standard non polar	33892256
Carmine red,3TMS,isomer #37	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4174.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #38	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4135.3	Semi standard non polar	33892256
Carmine red,3TMS,isomer #39	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4178.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #4	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4091.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #40	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4117.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #41	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4128.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #42	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4100.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #43	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4134.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #44	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4146.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #45	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4132.9	Semi standard non polar	33892256
Carmine red,3TMS,isomer #46	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4126.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #47	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4162.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #48	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4144.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #49	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4155.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #5	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4083.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #50	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4129.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #51	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4080.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #52	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4102.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #53	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4080.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #54	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4069.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #55	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4158.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #56	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4186.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #57	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4159.6	Semi standard non polar	33892256
Carmine red,3TMS,isomer #58	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4167.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #59	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4124.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #6	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4091.3	Semi standard non polar	33892256
Carmine red,3TMS,isomer #60	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4117.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #61	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4112.0	Semi standard non polar	33892256
Carmine red,3TMS,isomer #62	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4176.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #63	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4166.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #64	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4163.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #65	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4144.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #66	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4086.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #67	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4126.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #68	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4097.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #69	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4185.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #7	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4086.3	Semi standard non polar	33892256
Carmine red,3TMS,isomer #70	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4211.0	Semi standard non polar	33892256
Carmine red,3TMS,isomer #71	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4186.3	Semi standard non polar	33892256
Carmine red,3TMS,isomer #72	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4157.8	Semi standard non polar	33892256
Carmine red,3TMS,isomer #73	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4128.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #74	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4214.9	Semi standard non polar	33892256
Carmine red,3TMS,isomer #75	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4106.4	Semi standard non polar	33892256
Carmine red,3TMS,isomer #76	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4056.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #77	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4112.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #78	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4155.2	Semi standard non polar	33892256
Carmine red,3TMS,isomer #79	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4203.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #8	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4176.5	Semi standard non polar	33892256
Carmine red,3TMS,isomer #80	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4141.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #81	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4138.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #82	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4084.9	Semi standard non polar	33892256
Carmine red,3TMS,isomer #83	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4178.1	Semi standard non polar	33892256
Carmine red,3TMS,isomer #84	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4161.7	Semi standard non polar	33892256
Carmine red,3TMS,isomer #9	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4173.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #1	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4037.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #10	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3971.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #100	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4014.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #101	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4002.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #102	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4107.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #103	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4081.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #104	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4106.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #105	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4117.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #106	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4115.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #107	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4110.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #108	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4096.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #109	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4089.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #11	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4019.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #110	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4087.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #111	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4137.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #112	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4044.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #113	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4042.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #114	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4035.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #115	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4006.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #116	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4002.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #117	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4052.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #118	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4125.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #119	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4117.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #12	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3980.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #120	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4170.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #121	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4122.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #122	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4008.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #123	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4034.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #124	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4005.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #125	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4125.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #126	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4052.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #13	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3976.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #14	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3952.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #15	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3968.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #16	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3998.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #17	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3988.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #18	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3977.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #19	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3988.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #2	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3996.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #20	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3960.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #21	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3986.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #22	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4060.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #23	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4073.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #24	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4041.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #25	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4080.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #26	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4115.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #27	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4086.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #28	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4047.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #29	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4069.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #3	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4012.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #30	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4069.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #31	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4109.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #32	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4093.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #33	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4088.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #34	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4103.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #35	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4055.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #36	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4094.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #37	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4050.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #38	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4028.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #39	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4042.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #4	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3989.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #40	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4059.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #41	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4060.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #42	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4055.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #43	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4068.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #44	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4057.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #45	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4041.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #46	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4081.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #47	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4090.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #48	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4093.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #49	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4060.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #5	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4012.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #50	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4076.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #51	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4039.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #52	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4053.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #53	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4141.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #54	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4075.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #55	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4073.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #56	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4071.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #57	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4052.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #58	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3979.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #59	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3991.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #6	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4045.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #60	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3975.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #61	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3995.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #62	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3969.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #63	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3973.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #64	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3960.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #65	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3983.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #66	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3957.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #67	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3959.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #68	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3932.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #69	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3980.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #7	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3962.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #70	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3970.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #71	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3969.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #72	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4071.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #73	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4086.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #74	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4053.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #75	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4094.3	Semi standard non polar	33892256
Carmine red,4TMS,isomer #76	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4066.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #77	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4029.9	Semi standard non polar	33892256
Carmine red,4TMS,isomer #78	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4052.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #79	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4091.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #8	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3962.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #80	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4074.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #81	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4082.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #82	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4062.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #83	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4036.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #84	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4051.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #85	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4071.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #86	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4068.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #87	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4067.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #88	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4076.0	Semi standard non polar	33892256
Carmine red,4TMS,isomer #89	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4072.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #9	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3948.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #90	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4056.2	Semi standard non polar	33892256
Carmine red,4TMS,isomer #91	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4119.4	Semi standard non polar	33892256
Carmine red,4TMS,isomer #92	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4037.5	Semi standard non polar	33892256
Carmine red,4TMS,isomer #93	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4033.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #94	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	3998.6	Semi standard non polar	33892256
Carmine red,4TMS,isomer #95	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4015.7	Semi standard non polar	33892256
Carmine red,4TMS,isomer #96	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	3997.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #97	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	3973.8	Semi standard non polar	33892256
Carmine red,4TMS,isomer #98	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3989.1	Semi standard non polar	33892256
Carmine red,4TMS,isomer #99	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4013.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #1	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3922.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #10	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3953.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #100	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4061.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #101	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4020.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #102	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4031.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #103	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4011.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #104	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4054.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #105	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4049.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #106	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	3959.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #107	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	3937.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #108	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3953.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #109	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	3962.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #11	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3967.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #110	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3982.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #111	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3959.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #112	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	3941.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #113	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3957.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #114	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3934.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #115	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3976.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #116	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	4064.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #117	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4070.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #118	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4057.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #119	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4104.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #12	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3954.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #120	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4086.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #121	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O)=C1C2=O	3959.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #122	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3970.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #123	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3998.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #124	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3976.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #125	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	4108.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #126	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O)=C1C2=O	3962.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #13	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3949.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #14	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3946.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #15	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3967.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #16	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3903.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #17	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3914.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #18	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3899.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #19	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3931.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #2	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3934.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #20	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3911.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #21	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3923.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #22	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3937.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #23	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3911.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #24	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3928.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #25	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3959.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #26	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3938.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #27	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3956.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #28	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3923.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #29	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3937.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #3	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3932.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #30	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3924.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #31	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3918.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #32	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3963.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #33	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3932.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #34	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3944.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #35	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3932.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #36	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4011.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #37	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3998.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #38	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4008.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #39	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4022.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #4	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3949.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #40	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4023.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #41	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4026.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #42	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4036.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #43	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4017.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #44	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4017.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #45	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4051.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #46	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4042.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #47	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4052.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #48	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4030.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #49	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4034.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #5	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3999.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #50	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4015.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #51	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4028.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #52	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4083.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #53	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4044.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #54	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4049.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #55	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4037.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #56	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	4014.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #57	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4027.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #58	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4017.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #59	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4008.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #6	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3942.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #60	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4000.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #61	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4017.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #62	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4044.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #63	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4025.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #64	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4034.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #65	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4023.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #66	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	4069.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #67	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4036.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #68	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4047.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #69	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4027.9	Semi standard non polar	33892256
Carmine red,5TMS,isomer #7	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O)C(O[Si](C)(C)C)=C1C2=O	3955.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #70	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	4067.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #71	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3931.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #72	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3942.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #73	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3938.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #74	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3956.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #75	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3920.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #76	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3936.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #77	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3913.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #78	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3935.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #79	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3950.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #8	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1C2=O	3932.3	Semi standard non polar	33892256
Carmine red,5TMS,isomer #80	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3932.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #81	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3906.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #82	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3919.4	Semi standard non polar	33892256
Carmine red,5TMS,isomer #83	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3902.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #84	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3914.5	Semi standard non polar	33892256
Carmine red,5TMS,isomer #85	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3932.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #86	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3919.1	Semi standard non polar	33892256
Carmine red,5TMS,isomer #87	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	3914.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #88	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3934.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #89	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3912.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #9	CC1=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O	3944.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #90	CC1=C(C(=O)O[Si](C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	3941.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #91	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4016.8	Semi standard non polar	33892256
Carmine red,5TMS,isomer #92	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4003.6	Semi standard non polar	33892256
Carmine red,5TMS,isomer #93	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4013.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #94	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4032.0	Semi standard non polar	33892256
Carmine red,5TMS,isomer #95	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4036.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #96	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4024.2	Semi standard non polar	33892256
Carmine red,5TMS,isomer #97	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C(O)=C1C2=O	4022.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #98	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4031.7	Semi standard non polar	33892256
Carmine red,5TMS,isomer #99	CC1=C(C(=O)O)C(O[Si](C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)=C1C2=O	4013.7	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #1	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4606.1	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #2	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4602.0	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #3	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4562.4	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #4	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4593.2	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #5	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4595.4	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #6	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4587.8	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #7	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4595.3	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #8	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4594.9	Semi standard non polar	33892256
Carmine red,1TBDMS,isomer #9	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4601.9	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #1	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4683.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #10	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4713.2	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #11	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4716.3	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #12	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4653.9	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #13	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4643.4	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #14	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4663.1	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #15	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4663.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #16	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4643.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #17	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4675.1	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #18	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4659.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #19	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4626.6	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #2	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4725.7	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #20	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4651.0	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #21	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4630.7	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #22	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4633.4	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #23	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4666.4	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #24	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4645.5	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #25	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4656.0	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #26	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4650.3	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #27	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4641.0	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #28	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4664.9	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #29	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4649.3	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #3	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4706.7	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #30	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4666.1	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #31	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4642.3	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #32	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4675.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #33	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4658.4	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #34	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4685.7	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #35	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4715.7	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #36	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4703.3	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #4	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4671.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #5	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4656.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #6	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4666.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #7	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4678.8	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #8	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4698.6	Semi standard non polar	33892256
Carmine red,2TBDMS,isomer #9	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4669.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #1	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4825.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #10	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4780.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #11	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4779.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #12	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4808.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #13	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4827.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #14	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4758.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #15	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4751.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #16	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4772.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #17	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4780.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #18	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4798.2	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #19	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4749.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #2	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4794.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #20	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4776.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #21	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4758.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #22	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4747.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #23	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4766.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #24	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4778.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #25	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4749.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #26	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4783.2	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #27	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4764.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #28	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4774.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #29	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4811.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #3	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4741.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #30	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4799.5	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #31	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4727.5	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #32	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4722.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #33	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4737.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #34	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4744.2	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #35	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4840.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #36	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4769.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #37	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4769.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #38	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4776.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #39	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4797.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #4	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4736.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #40	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4763.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #41	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4760.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #42	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4775.5	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #43	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4790.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #44	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4738.5	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #45	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4774.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #46	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4746.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #47	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4760.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #48	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4767.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #49	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1C2=O	4771.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #5	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4751.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #50	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4773.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #51	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4741.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #52	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4717.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #53	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4744.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #54	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4721.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #55	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4774.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #56	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4752.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #57	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4782.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #58	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4765.0	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #59	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4724.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #6	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4757.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #60	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4766.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #61	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4738.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #62	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4771.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #63	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4779.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #64	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4776.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #65	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4765.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #66	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4726.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #67	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4726.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #68	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4729.1	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #69	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C(O)=C1C2=O	4762.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #7	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4787.6	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #70	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4769.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #71	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4773.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #72	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4740.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #73	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4745.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #74	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4780.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #75	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4769.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #76	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4739.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #77	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4731.2	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #78	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C(O)=C1C2=O	4775.3	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #79	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4780.5	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #8	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4828.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #80	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4752.8	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #81	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4781.9	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #82	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4752.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #83	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C(O)=C1C2=O	4786.7	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #84	CC1=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C(C3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C1C2=O	4824.4	Semi standard non polar	33892256
Carmine red,3TBDMS,isomer #9	CC1=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C1=C(O)C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4780.0	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 - Carmine red GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fkc-3205900000-ea4115eaa8188e7c07f8	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (2 TMS) - 70eV, Positive	splash10-00fs-4100095000-80e7d8ab1196f8641c4c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TBDMS_3_18) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TBDMS_3_80) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS ("Carmine red,3TBDMS,#18" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carmine red GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-03	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 - Carmine red 10V, Positive-QTOF	splash10-002f-0000900000-88eb0435bd204f700f9c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 20V, Positive-QTOF	splash10-004i-1301900000-8439f46b9d2d5a6de14c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 40V, Positive-QTOF	splash10-0a73-2009200000-d3e59cc7c4cb219b4d12	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 10V, Negative-QTOF	splash10-0006-0001900000-52bf0a360119a3fa22b5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 20V, Negative-QTOF	splash10-0adm-3105900000-52afeb295648578954f7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 40V, Negative-QTOF	splash10-054o-7119000000-ec70a58520139e5e9097	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 10V, Negative-QTOF	splash10-00bc-0000900000-6b5dfdc59479f56bed67	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 20V, Negative-QTOF	splash10-004m-1029500000-d7aa4eb450a8ccf001e9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 40V, Negative-QTOF	splash10-01q1-5098400000-d23fc24d0efa8ffbcb16	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 10V, Positive-QTOF	splash10-002f-0000900000-3adc9596141376d0a720	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 20V, Positive-QTOF	splash10-054o-0109700000-06bd5452bc8efba9e551	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carmine red 40V, Positive-QTOF	splash10-004m-5409200000-b382e45330cbd0deae57	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

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

FDB002568

KNApSAcK ID

Not Available

Chemspider ID

14241

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Carminic acid

METLIN ID

Not Available

PubChem Compound

14950

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Carmine red (HMDB0030658)

MOL for HMDB0030658 (Carmine red)

3D MOL for HMDB0030658 (Carmine red)

3D SDF for HMDB0030658 (Carmine red)

3D-SDF for HMDB0030658 (Carmine red)

PDB for HMDB0030658 (Carmine red)

3D PDB for HMDB0030658 (Carmine red)

SMILES for HMDB0030658 (Carmine red)

INCHI for HMDB0030658 (Carmine red)

Structure for HMDB0030658 (Carmine red)

3D Structure for HMDB0030658 (Carmine red)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra