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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:31:01 UTC

Update Date

2022-03-07 02:52:12 UTC

HMDB ID

HMDB0029537

Secondary Accession Numbers

HMDB29537

Metabolite Identification

Common Name

Safflor Yellow A

Description

Safflor Yellow A belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Safflor Yellow A is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, safflor yellow a has been detected, but not quantified in, a few different foods, such as fats and oils, herbs and spices, and safflowers. This could make safflor yellow a a potential biomarker for the consumption of these foods.

Structure

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


  Mrv0541 05061304482D          

 42 46  0  0  0  0            999 V2000
   -2.8105   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1076   -1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6175   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9146   -1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1966   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135    1.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5556   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1695   -0.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3896   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    2.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    3.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657    2.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339    1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130    1.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9765   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347   -1.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9143    3.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282    3.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028    2.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    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  3  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
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 23 20  1  0  0  0  0
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 24 14  2  0  0  0  0
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 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
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 30 10  1  0  0  0  0
 31 11  2  0  0  0  0
 32 16  1  0  0  0  0
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 40 22  1  0  0  0  0
 41 13  1  0  0  0  0
 41 26  1  0  0  0  0
 42 23  1  0  0  0  0
 42 25  1  0  0  0  0
M  END

HMDB0029537
     RDKit          3D
Safflor Yellow A
 72 76  0  0  0  0  0  0  0  0999 V2000
    2.8281    1.6706    1.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    0.5788    1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    0.0529    0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946   -0.9462    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -1.2635   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163   -0.5531    0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1719   -0.8889    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5131   -1.9709   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8569   -2.3278   -0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5090   -2.6993   -1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1784   -2.3473   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.3071    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    1.1329    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896    2.2061    2.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    1.0126    1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823    1.0340    2.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6305    2.2941    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2052    3.3529    1.1185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782    4.5169    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357    5.6678    1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    5.5879    2.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194    4.7422    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    5.4441   -1.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    3.5495    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    3.5715   -1.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    2.2249    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947    1.5227    1.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510   -0.1703    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   -1.0007   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899   -0.8023   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199   -1.6555   -0.5843 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9649   -3.3096   -0.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8525   -4.1687   -1.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388   -5.3331   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -6.0896   -0.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549   -3.5305   -2.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883   -4.5606   -2.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8462   -0.5989   -0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6895   -1.5566   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    0.3075    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -0.3239    0.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439   -1.8989   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -3.5625   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028   -2.9476   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    3.1104    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6716    2.6522   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562    1.5813   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.1666    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817   -1.7420   -2.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -4.6349   -2.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735   -5.9850   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7012   -2.5726    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 30 12  1  0
 41 32  1  0
 26 17  1  0
 42 28  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  0
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  9 47  1  0
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 32 63  1  0
 34 64  1  0
 35 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
M  END


  Mrv0541 05061304482D          

 42 46  0  0  0  0            999 V2000
   -2.8105   -0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1076   -1.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2575   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3896   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    2.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0645   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1347   -1.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7674    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3282    3.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995    0.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6028    2.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    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  3  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 14  2  0  0  0  0
 25 15  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  2  0  0  0  0
 32 16  1  0  0  0  0
 33 17  1  0  0  0  0
 34 18  2  0  0  0  0
 35 19  1  0  0  0  0
 36 20  1  0  0  0  0
 37 21  1  0  0  0  0
 38 24  1  0  0  0  0
 39 27  1  0  0  0  0
 40 12  1  0  0  0  0
 40 22  1  0  0  0  0
 41 13  1  0  0  0  0
 41 26  1  0  0  0  0
 42 23  1  0  0  0  0
 42 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029537

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c28-7-12-17(33)20(36)23-22(40-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(38)27(39,25(15)42-23)26-21(37)19(35)16(32)13(8-29)41-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-39H,7-8H2/b6-3+

> <INCHI_KEY>
YKDBQWHZEDSTAI-ZZXKWVIFSA-N

> <FORMULA>
C27H30O15

> <MOLECULAR_WEIGHT>
594.5181

> <EXACT_MASS>
594.15847029

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
57.33908448920779

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,6,10,11-tetrahydroxy-4-(hydroxymethyl)-12-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),11-dien-13-one

> <ALOGPS_LOGP>
-0.83

> <JCHEM_LOGP>
-3.9601126803333324

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.670243743428049

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.20751281866170057

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6442797139886176

> <JCHEM_POLAR_SURFACE_AREA>
264.12999999999994

> <JCHEM_REFRACTIVITY>
139.01099999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.46e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,6,10,11-tetrahydroxy-4-(hydroxymethyl)-12-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),11-dien-13-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029537
     RDKit          3D
Safflor Yellow A
 72 76  0  0  0  0  0  0  0  0999 V2000
    2.8281    1.6706    1.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    0.5788    1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    0.0529    0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946   -0.9462    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -1.2635   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163   -0.5531    0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1719   -0.8889    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5131   -1.9709   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8569   -2.3278   -0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5090   -2.6993   -1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1784   -2.3473   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.3071    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    1.1329    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896    2.2061    2.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    1.0126    1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823    1.0340    2.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6305    2.2941    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2052    3.3529    1.1185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782    4.5169    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357    5.6678    1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    5.5879    2.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194    4.7422    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    5.4441   -1.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    3.5495    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    3.5715   -1.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    2.2249    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947    1.5227    1.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510   -0.1703    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   -1.0007   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899   -0.8023   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199   -1.6555   -0.5843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133   -2.0243   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9649   -3.3096   -0.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8525   -4.1687   -1.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388   -5.3331   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -6.0896   -0.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549   -3.5305   -2.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883   -4.5606   -2.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578   -2.5294   -1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7993   -3.1491   -0.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587   -1.9835   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -0.5989   -0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209    0.6323    1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895   -1.5566   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    0.3075    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -0.3239    0.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439   -1.8989   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -3.5625   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028   -2.9476   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    3.1104    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756    0.4758    2.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558    2.2954   -0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    4.5593   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802    6.6476    0.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363    5.5494    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    6.4750    2.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3148    5.4854    0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    5.5743   -1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5808    3.6281    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6716    2.6522   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562    1.5813   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.1666    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817   -1.7420   -2.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -4.6349   -2.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735   -5.9850   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592   -4.9421    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733   -5.6529    0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189   -3.1089   -3.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9127   -4.1796   -2.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104   -1.6923   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7684   -2.9073    0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012   -2.5726    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
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  8 10  1  0
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  2 12  1  0
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 13 14  1  0
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 15 28  1  0
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 34 35  1  0
 35 36  1  0
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 37 38  1  0
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 39 40  1  0
 39 41  1  0
 41 42  1  0
 11  5  1  0
 30 12  1  0
 41 32  1  0
 26 17  1  0
 42 28  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  0
  7 46  1  0
  9 47  1  0
 10 48  1  0
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 14 50  1  0
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 17 52  1  0
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 24 59  1  0
 25 60  1  0
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 37 68  1  0
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 39 70  1  0
 40 71  1  0
 41 72  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      -5.246  -0.558   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.801  -3.167   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.264  -2.343   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.753  -0.238   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.307  -2.847   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.234  -1.199   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.947  -1.519   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.319   3.525   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.770  -2.023   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.783  -1.383   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.727  -1.519   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.917  -0.374   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.838   3.950   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.303  -0.374   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.840   0.450   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.465   5.444   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.393   1.090   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.810  -0.695   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.985   5.868   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.362   2.235   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.123   4.799   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.380   0.450   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.856   1.914   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.173   1.090   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.364   1.914   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.250   3.304   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.858   2.235   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       9.454  -1.199   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -4.691   2.031   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -9.289  -1.062   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -0.251  -2.983   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -3.573   6.514   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.899   1.410   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.285  -2.159   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -0.613   7.363   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.838   3.699   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.603   5.223   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -1.679   1.410   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       1.125   3.751   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.411  -0.695   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -1.730   2.880   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       3.610   2.820   0.000  0.00  0.00           O+0
CONECT    1    4    9                                                       
CONECT    2    5    9                                                       
CONECT    3    6    9                                                       
CONECT    4    1   10                                                       
CONECT    5    2   10                                                       
CONECT    6    3   11                                                       
CONECT    7   12   28                                                       
CONECT    8   13   29                                                       
CONECT    9    1    2    3                                                  
CONECT   10    4    5   30                                                  
CONECT   11    6   14   31                                                  
CONECT   12    7   17   40                                                  
CONECT   13    8   16   41                                                  
CONECT   14   11   18   24                                                  
CONECT   15   18   22   25                                                  
CONECT   16   13   19   32                                                  
CONECT   17   12   20   33                                                  
CONECT   18   14   15   34                                                  
CONECT   19   16   21   35                                                  
CONECT   20   17   23   36                                                  
CONECT   21   19   26   37                                                  
CONECT   22   15   23   40                                                  
CONECT   23   20   22   42                                                  
CONECT   24   14   27   38                                                  
CONECT   25   15   27   42                                                  
CONECT   26   21   27   41                                                  
CONECT   27   24   25   26   39                                             
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30   10                                                            
CONECT   31   11                                                            
CONECT   32   16                                                            
CONECT   33   17                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   20                                                            
CONECT   37   21                                                            
CONECT   38   24                                                            
CONECT   39   27                                                            
CONECT   40   12   22                                                       
CONECT   41   13   26                                                       
CONECT   42   23   25                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0029537
HETATM    1  O1  UNL     1       2.828   1.671   1.794  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.665   0.579   1.002  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.939   0.053   0.707  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.395  -0.946   0.011  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.834  -1.263  -0.119  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.816  -0.553   0.469  1.00  0.00           C  
HETATM    7  C6  UNL     1       8.172  -0.889   0.320  1.00  0.00           C  
HETATM    8  C7  UNL     1       8.513  -1.971  -0.446  1.00  0.00           C  
HETATM    9  O2  UNL     1       9.857  -2.328  -0.611  1.00  0.00           O  
HETATM   10  C8  UNL     1       7.509  -2.699  -1.049  1.00  0.00           C  
HETATM   11  C9  UNL     1       6.178  -2.347  -0.886  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.284   0.307   0.719  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.336   1.133   1.226  1.00  0.00           C  
HETATM   14  O3  UNL     1       0.790   2.206   2.003  1.00  0.00           O  
HETATM   15  C12 UNL     1      -1.108   1.013   1.039  1.00  0.00           C  
HETATM   16  O4  UNL     1      -1.682   1.034   2.338  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.631   2.294   0.358  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.205   3.353   1.119  1.00  0.00           O  
HETATM   19  C14 UNL     1      -1.478   4.517   0.408  1.00  0.00           C  
HETATM   20  C15 UNL     1      -0.936   5.668   1.253  1.00  0.00           C  
HETATM   21  O6  UNL     1      -1.640   5.588   2.476  1.00  0.00           O  
HETATM   22  C16 UNL     1      -2.919   4.742   0.123  1.00  0.00           C  
HETATM   23  O7  UNL     1      -2.994   5.444  -1.102  1.00  0.00           O  
HETATM   24  C17 UNL     1      -3.798   3.549   0.144  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.562   3.571  -1.048  1.00  0.00           O  
HETATM   26  C18 UNL     1      -3.128   2.225   0.218  1.00  0.00           C  
HETATM   27  O9  UNL     1      -3.595   1.523   1.353  1.00  0.00           O  
HETATM   28  C19 UNL     1      -1.551  -0.170   0.279  1.00  0.00           C  
HETATM   29  C20 UNL     1      -0.670  -1.001  -0.242  1.00  0.00           C  
HETATM   30  C21 UNL     1       0.790  -0.802  -0.046  1.00  0.00           C  
HETATM   31  O10 UNL     1       1.520  -1.655  -0.584  1.00  0.00           O  
HETATM   32  C22 UNL     1      -1.413  -2.024  -0.976  1.00  0.00           C  
HETATM   33  O11 UNL     1      -0.965  -3.310  -0.869  1.00  0.00           O  
HETATM   34  C23 UNL     1      -1.853  -4.169  -1.484  1.00  0.00           C  
HETATM   35  C24 UNL     1      -2.239  -5.333  -0.596  1.00  0.00           C  
HETATM   36  O12 UNL     1      -1.115  -6.090  -0.238  1.00  0.00           O  
HETATM   37  C25 UNL     1      -3.055  -3.531  -2.092  1.00  0.00           C  
HETATM   38  O13 UNL     1      -3.988  -4.561  -2.344  1.00  0.00           O  
HETATM   39  C26 UNL     1      -3.758  -2.529  -1.212  1.00  0.00           C  
HETATM   40  O14 UNL     1      -4.799  -3.149  -0.511  1.00  0.00           O  
HETATM   41  C27 UNL     1      -2.759  -1.983  -0.251  1.00  0.00           C  
HETATM   42  O15 UNL     1      -2.846  -0.599  -0.007  1.00  0.00           O  
HETATM   43  H1  UNL     1       4.821   0.632   1.193  1.00  0.00           H  
HETATM   44  H2  UNL     1       3.690  -1.557  -0.493  1.00  0.00           H  
HETATM   45  H3  UNL     1       6.650   0.308   1.086  1.00  0.00           H  
HETATM   46  H4  UNL     1       8.958  -0.324   0.789  1.00  0.00           H  
HETATM   47  H5  UNL     1      10.344  -1.899  -1.410  1.00  0.00           H  
HETATM   48  H6  UNL     1       7.737  -3.562  -1.663  1.00  0.00           H  
HETATM   49  H7  UNL     1       5.403  -2.948  -1.379  1.00  0.00           H  
HETATM   50  H8  UNL     1       1.028   3.110   1.654  1.00  0.00           H  
HETATM   51  H9  UNL     1      -1.076   0.476   2.890  1.00  0.00           H  
HETATM   52  H10 UNL     1      -1.156   2.295  -0.648  1.00  0.00           H  
HETATM   53  H11 UNL     1      -0.874   4.559  -0.546  1.00  0.00           H  
HETATM   54  H12 UNL     1      -1.180   6.648   0.812  1.00  0.00           H  
HETATM   55  H13 UNL     1       0.136   5.549   1.465  1.00  0.00           H  
HETATM   56  H14 UNL     1      -1.838   6.475   2.845  1.00  0.00           H  
HETATM   57  H15 UNL     1      -3.315   5.485   0.877  1.00  0.00           H  
HETATM   58  H16 UNL     1      -3.930   5.574  -1.390  1.00  0.00           H  
HETATM   59  H17 UNL     1      -4.581   3.628   0.955  1.00  0.00           H  
HETATM   60  H18 UNL     1      -4.672   2.652  -1.410  1.00  0.00           H  
HETATM   61  H19 UNL     1      -3.356   1.581  -0.656  1.00  0.00           H  
HETATM   62  H20 UNL     1      -4.050   2.167   1.952  1.00  0.00           H  
HETATM   63  H21 UNL     1      -1.582  -1.742  -2.036  1.00  0.00           H  
HETATM   64  H22 UNL     1      -1.278  -4.635  -2.340  1.00  0.00           H  
HETATM   65  H23 UNL     1      -2.973  -5.985  -1.110  1.00  0.00           H  
HETATM   66  H24 UNL     1      -2.659  -4.942   0.343  1.00  0.00           H  
HETATM   67  H25 UNL     1      -0.573  -5.653   0.446  1.00  0.00           H  
HETATM   68  H26 UNL     1      -2.819  -3.109  -3.100  1.00  0.00           H  
HETATM   69  H27 UNL     1      -4.913  -4.180  -2.292  1.00  0.00           H  
HETATM   70  H28 UNL     1      -4.210  -1.692  -1.779  1.00  0.00           H  
HETATM   71  H29 UNL     1      -4.768  -2.907   0.458  1.00  0.00           H  
HETATM   72  H30 UNL     1      -2.701  -2.573   0.692  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4   43
CONECT    4    5   44
CONECT    5    6    6   11
CONECT    6    7   45
CONECT    7    8    8   46
CONECT    8    9   10
CONECT    9   47
CONECT   10   11   11   48
CONECT   11   49
CONECT   12   13   13   30
CONECT   13   14   15
CONECT   14   50
CONECT   15   16   17   28
CONECT   16   51
CONECT   17   18   26   52
CONECT   18   19
CONECT   19   20   22   53
CONECT   20   21   54   55
CONECT   21   56
CONECT   22   23   24   57
CONECT   23   58
CONECT   24   25   26   59
CONECT   25   60
CONECT   26   27   61
CONECT   27   62
CONECT   28   29   29   42
CONECT   29   30   32
CONECT   30   31   31
CONECT   32   33   41   63
CONECT   33   34
CONECT   34   35   37   64
CONECT   35   36   65   66
CONECT   36   67
CONECT   37   38   39   68
CONECT   38   69
CONECT   39   40   41   70
CONECT   40   71
CONECT   41   42   72
END

HMDB0029537
     RDKit          3D
Safflor Yellow A
 72 76  0  0  0  0  0  0  0  0999 V2000
    2.8281    1.6706    1.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    0.5788    1.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390    0.0529    0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946   -0.9462    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -1.2635   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8163   -0.5531    0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1719   -0.8889    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5131   -1.9709   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8569   -2.3278   -0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5090   -2.6993   -1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1784   -2.3473   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840    0.3071    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3359    1.1329    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7896    2.2061    2.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    1.0126    1.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823    1.0340    2.3382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6305    2.2941    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2052    3.3529    1.1185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782    4.5169    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357    5.6678    1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6398    5.5879    2.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194    4.7422    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    5.4441   -1.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7976    3.5495    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    3.5715   -1.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1276    2.2249    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947    1.5227    1.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510   -0.1703    0.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   -1.0007   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7899   -0.8023   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199   -1.6555   -0.5843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133   -2.0243   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9649   -3.3096   -0.8694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8525   -4.1687   -1.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2388   -5.3331   -0.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152   -6.0896   -0.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0549   -3.5305   -2.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883   -4.5606   -2.3436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7578   -2.5294   -1.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7993   -3.1491   -0.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587   -1.9835   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462   -0.5989   -0.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209    0.6323    1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895   -1.5566   -0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    0.3075    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -0.3239    0.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3439   -1.8989   -1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -3.5625   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028   -2.9476   -1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    3.1104    1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0756    0.4758    2.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558    2.2954   -0.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    4.5593   -0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802    6.6476    0.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363    5.5494    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8382    6.4750    2.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3148    5.4854    0.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    5.5743   -1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5808    3.6281    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6716    2.6522   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3562    1.5813   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0500    2.1666    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5817   -1.7420   -2.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2784   -4.6349   -2.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735   -5.9850   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592   -4.9421    0.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733   -5.6529    0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189   -3.1089   -3.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9127   -4.1796   -2.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2104   -1.6923   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7684   -2.9073    0.4578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7012   -2.5726    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  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
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 11  5  1  0
 30 12  1  0
 41 32  1  0
 26 17  1  0
 42 28  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  0
  7 46  1  0
  9 47  1  0
 10 48  1  0
 11 49  1  0
 14 50  1  0
 16 51  1  0
 17 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 22 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  0
 26 61  1  0
 27 62  1  0
 32 63  1  0
 34 64  1  0
 35 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 38 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₅

Average Molecular Weight

594.5181

Monoisotopic Molecular Weight

594.15847029

IUPAC Name

5,6,10,11-tetrahydroxy-4-(hydroxymethyl)-12-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),11-dien-13-one

Traditional Name

5,6,10,11-tetrahydroxy-4-(hydroxymethyl)-12-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),11-dien-13-one

CAS Registry Number

85532-77-0

SMILES

OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O15/c28-7-12-17(33)20(36)23-22(40-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(38)27(39,25(15)42-23)26-21(37)19(35)16(32)13(8-29)41-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-39H,7-8H2/b6-3+

InChI Key

YKDBQWHZEDSTAI-ZZXKWVIFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acids and derivatives

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029537)
Cytoplasm (HMDB: HMDB0029537)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029537)

Source

Endogenous

Endogenous (HMDB: HMDB0029537)

Plant

Plant (HMDB: HMDB0029537)

Exogenous

Food

Food (HMDB: HMDB0029537)

Herb and spice

Oilseed crop

Safflower (FooDB: FOOD00042)

Herbs and Spices (FooDB: FOOD00866)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.46 g/L	ALOGPS
logP	-0.83	ALOGPS
logP	-4	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	-0.21	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	264.13 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	139.01 m³·mol⁻¹	ChemAxon
Polarizability	57.34 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	222.825	30932474
DeepCCS	[M-H]-	220.906	30932474
DeepCCS	[M-2H]-	254.148	30932474
DeepCCS	[M+Na]+	228.566	30932474
AllCCS	[M+H]+	235.4	32859911
AllCCS	[M+H-H2O]+	234.0	32859911
AllCCS	[M+NH4]+	236.7	32859911
AllCCS	[M+Na]+	237.1	32859911
AllCCS	[M-H]-	233.5	32859911
AllCCS	[M+Na-2H]-	235.4	32859911
AllCCS	[M+HCOO]-	237.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Safflor Yellow A	OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O	5336.3	Standard polar	33892256
Safflor Yellow A	OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O	4427.5	Standard non polar	33892256
Safflor Yellow A	OCC1OC2C(OC3=C2C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C(O)C3(O)C2OC(CO)C(O)C(O)C2O)C(O)C1O	5325.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Safflor Yellow A,1TMS,isomer #1	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5186.9	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5172.1	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5256.3	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #3	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5181.9	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #4	C[Si](C)(C)OC1(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C1OC1C2OC(CO)C(O)C1O	5201.2	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #5	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5177.1	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O	5194.3	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O	5195.2	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1(O)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C1OC1C2OC(CO)C(O)C1O	5196.2	Semi standard non polar	33892256
Safflor Yellow A,1TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5187.5	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #1	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5108.0	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #10	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5153.1	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5168.3	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #12	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5132.6	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5150.4	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5144.6	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5158.8	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	5145.8	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	5161.0	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #18	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5065.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #19	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5090.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #2	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5110.8	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #20	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5108.9	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #21	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5059.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #22	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5077.3	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #23	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5071.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #24	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5080.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #25	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5084.1	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O	5101.8	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #27	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O	5102.1	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #28	C[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C1OC1C2OC(CO)C(O)C1O	5111.6	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #29	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5098.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #3	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5112.1	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #30	C[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5120.7	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #31	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5067.7	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #32	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5087.5	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #33	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5083.7	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #34	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5093.4	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #35	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5093.8	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	5090.0	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	5106.0	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #38	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	5107.2	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #39	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	5107.4	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #4	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5080.0	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #40	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5076.1	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #41	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C1O	5097.7	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #42	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O[Si](C)(C)C	5106.9	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5086.4	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #44	C[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5103.6	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5119.4	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #5	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5087.5	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #6	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5082.4	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #7	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5090.1	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #8	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5089.9	Semi standard non polar	33892256
Safflor Yellow A,2TMS,isomer #9	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5146.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #1	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5078.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #10	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5010.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #100	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5073.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #101	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5024.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #102	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4973.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #103	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4985.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #104	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4987.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #105	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5003.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #106	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5015.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #107	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5018.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #108	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5008.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #109	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5020.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #11	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5026.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #110	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5034.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #111	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5057.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #112	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4997.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #113	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5011.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #114	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5036.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #115	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5049.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #116	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5068.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #117	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5050.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #118	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4998.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #119	C[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5030.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #12	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5014.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #120	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5052.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #13	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5028.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #14	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5001.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #15	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5093.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #16	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4992.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #17	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5012.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #18	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5002.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #19	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5020.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #2	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5048.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #20	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5021.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #21	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5095.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #22	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4957.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #23	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5064.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #24	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4989.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #25	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5000.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #26	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5002.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #27	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5020.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #28	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5010.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #29	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4964.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #3	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5001.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #30	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5058.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #31	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5011.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #32	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4956.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #33	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5057.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #34	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4970.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #35	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5070.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #36	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5064.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #37	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5034.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #38	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5066.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #39	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5081.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #4	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5020.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #40	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5029.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #41	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5039.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #42	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5036.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #43	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5044.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #44	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5059.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #45	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5081.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5085.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #47	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5100.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	5086.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	5118.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #5	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5011.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #50	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5040.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #51	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5067.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #52	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5061.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #53	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5072.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #54	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5069.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5089.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5086.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	5059.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	5082.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5088.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #6	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5021.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	5054.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #61	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	5075.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #62	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	5070.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	5092.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #64	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O3)C=C1	5110.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #65	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5010.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #66	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	4995.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #67	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4928.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #68	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4938.0	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #69	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4932.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #7	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5006.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #70	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4944.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #71	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5027.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #72	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4957.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #73	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4968.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #74	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4960.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #75	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4975.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #76	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	4970.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #77	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4983.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #78	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4988.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #79	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4999.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #8	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5097.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #80	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4945.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #81	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4961.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #82	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4954.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #83	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4977.1	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #84	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4967.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #85	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4962.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #86	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4968.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #87	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5006.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #88	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4987.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #89	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4998.2	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #9	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5037.8	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #90	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4996.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #91	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	5000.6	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #92	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	5040.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #93	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	5025.4	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #94	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	5032.3	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #95	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4987.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #96	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C1O	5029.9	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #97	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O[Si](C)(C)C	5029.7	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #98	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5007.5	Semi standard non polar	33892256
Safflor Yellow A,3TMS,isomer #99	C[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5047.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #1	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4995.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #10	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4909.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #100	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4917.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #101	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4925.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #102	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4924.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #103	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4939.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #104	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4936.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #105	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4928.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #106	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4923.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #107	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4960.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #108	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4943.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #109	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4947.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #11	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4935.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #110	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4947.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #111	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	4977.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	4978.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	4947.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	4987.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	4978.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	4936.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	4974.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	4964.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	5003.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #12	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4950.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #120	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O3)C=C1	5033.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #121	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4967.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #122	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4909.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #123	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4922.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #124	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4924.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #125	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4944.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #126	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4955.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #127	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4961.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #128	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4953.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #129	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4963.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #13	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5023.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #130	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4974.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #131	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5004.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #132	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	4944.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #133	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	4982.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #134	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	4932.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #135	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	4969.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #136	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O3)C=C1	4989.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #137	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O)C2O3)C=C1	4935.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #138	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C)C2O3)C=C1	4974.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #139	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O3)C=C1	4984.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #14	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4877.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #140	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O3)C=C1	4997.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #141	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	4935.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #142	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4862.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #143	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4870.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #144	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4870.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #145	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4873.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #146	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4839.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #147	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4852.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #148	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4845.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #149	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4864.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #15	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4964.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #150	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4809.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #151	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4833.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #152	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4822.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #153	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4838.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #154	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4831.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #155	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4820.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #156	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4867.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #157	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4883.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #158	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4874.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #159	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4895.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #16	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4889.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #160	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4837.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #161	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4858.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #162	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4848.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #163	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4865.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #164	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4857.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #165	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4847.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #166	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	4857.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #167	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	4868.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #168	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	4853.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #169	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4879.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #17	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4900.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #170	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4882.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #171	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4876.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #172	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4857.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #173	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4867.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #174	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4879.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #175	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4889.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #176	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4907.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #177	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4854.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #178	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4862.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #179	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4855.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #18	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4894.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #180	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4883.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #181	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4887.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #182	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4888.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #183	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4891.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #184	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4899.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #185	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4899.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #186	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4934.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #187	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4883.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #188	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4877.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #189	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4917.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #19	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4902.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #190	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4914.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #191	C[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4941.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #192	C[Si](C)(C)OC1C(O)C(CO)OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4922.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #193	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4879.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #194	C[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4909.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #195	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4942.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #196	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4894.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #197	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4908.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #198	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4908.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #199	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4864.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #2	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	4946.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #20	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4898.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #200	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4869.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #201	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4879.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #202	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4892.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #203	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4897.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #204	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4909.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #205	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4931.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #206	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4917.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #207	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4932.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #208	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4898.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #209	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4940.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #21	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4880.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #210	C[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4908.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #22	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4964.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #23	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4890.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #24	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4876.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #25	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4957.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #26	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4886.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #27	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4975.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #28	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4988.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #29	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4911.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #3	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4939.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #30	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4913.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #31	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4897.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #32	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4926.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #33	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4945.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #34	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5010.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #35	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4879.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #36	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4957.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #37	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	4888.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #38	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	4898.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #39	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	4899.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #4	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4934.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #40	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4898.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #41	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4890.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #42	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4874.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #43	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4956.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #44	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4886.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #45	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4871.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #46	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4949.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #47	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4882.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #48	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4967.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #49	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4976.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #5	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4945.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #50	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4880.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #51	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4955.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #52	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4885.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #53	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4890.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #54	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4886.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #55	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4900.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #56	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4908.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #57	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4890.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #58	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4968.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #59	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4901.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #6	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4958.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #60	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4882.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #61	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4958.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #62	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4903.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #63	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4985.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #64	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5002.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #65	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	4931.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #66	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4854.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #67	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4865.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #68	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4862.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #69	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4928.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #7	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	5034.6	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #70	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4942.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #71	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4946.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #72	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4893.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #73	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4884.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #74	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4902.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #75	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4923.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #76	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4870.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #77	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4955.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #78	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4869.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #79	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4947.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #8	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4909.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #80	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4932.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #81	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4854.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #82	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4946.0	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #83	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4930.2	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #84	C[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C)C=C1)C3=O	4944.3	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #85	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	4976.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #86	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	4963.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #87	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4893.9	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #88	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4905.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #89	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4904.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #9	C[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C)C1O)C(O[Si](C)(C)C)(C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	4922.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #90	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4913.1	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #91	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	4992.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #92	C[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	4921.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #93	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4929.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #94	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4927.4	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #95	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4939.7	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #96	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	4943.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #97	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4950.8	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #98	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4947.5	Semi standard non polar	33892256
Safflor Yellow A,4TMS,isomer #99	C[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4970.2	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5377.7	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5383.8	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5446.4	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5425.1	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C1OC1C2OC(CO)C(O)C1O	5397.3	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5367.8	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O	5407.9	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O	5416.8	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1(O)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C1OC1C2OC(CO)C(O)C1O	5404.0	Semi standard non polar	33892256
Safflor Yellow A,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5403.1	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O[Si](C)(C)C(C)(C)C)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5451.1	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5551.0	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O[Si](C)(C)C(C)(C)C)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5529.3	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5473.6	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5495.9	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5511.9	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C3=C(C2=O)C2OC(CO)C(O)C(O)C2O3)C=C1	5505.5	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O3)C=C1	5496.9	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C3=C(C2=O)C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O3)C=C1	5516.6	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C1(O)C1OC(CO)C(O)C(O)C1O	5461.3	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5487.4	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O[Si](C)(C)C(C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5445.6	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O[Si](C)(C)C(C)(C)C)C1OC(CO)C(O)C(O)C1O	5500.7	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5438.4	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5464.8	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5481.0	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C(OC3C2OC(CO)C(O)C3O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5471.0	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O	5419.9	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O	5453.5	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O	5468.3	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(CO)OC1C1(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C2=CC=C(O)C=C2)C(=O)C2=C1OC1C2OC(CO)C(O)C1O	5465.8	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O[Si](C)(C)C(C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5457.4	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O[Si](C)(C)C(C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5454.3	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O[Si](C)(C)C(C)(C)C)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5487.8	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5395.8	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5423.5	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5412.9	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5449.2	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5426.2	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5434.2	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5460.7	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5450.7	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5462.1	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5405.2	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5435.6	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5469.7	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2(O)C(O)=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(=O)C3=C2OC2C3OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	5456.7	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5429.5	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC2C3=C(OC21)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5454.2	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC2C3=C(OC2C1O[Si](C)(C)C(C)(C)C)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5487.2	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5416.9	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5427.8	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5420.8	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)/C=C/C1=CC=C(O)C=C1)C3=O	5472.5	Semi standard non polar	33892256
Safflor Yellow A,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC2C3=C(OC2C(O)C1O)C(O)(C1OC(CO)C(O)C(O)C1O)C(O)=C(C(=O)/C=C/C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C3=O	5492.5	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 - Safflor Yellow A GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-1300390000-d21a01e4500beeecc017	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS ("Safflor Yellow A,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Safflor Yellow A GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	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 - Safflor Yellow A 10V, Positive-QTOF	splash10-004j-0100590000-3234fec2094205214329	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 20V, Positive-QTOF	splash10-06vj-1800790000-44867932deb17f61d600	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 40V, Positive-QTOF	splash10-01q9-3211930000-9eb23609c0aeeeeeddc2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 10V, Negative-QTOF	splash10-001l-0104950000-e8548ae5f7ea922f400a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 20V, Negative-QTOF	splash10-0229-5901230000-c2800049248fd1c643f5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 40V, Negative-QTOF	splash10-03dl-6902010000-4a8389c301f5b3f68664	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 10V, Negative-QTOF	splash10-0006-0000190000-023594e75d7f1afb907b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 20V, Negative-QTOF	splash10-05ai-1000920000-be4628c011f021d366ab	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 40V, Negative-QTOF	splash10-0ce9-9546710000-ad3a8d45140e5733231d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 10V, Positive-QTOF	splash10-0002-0000190000-34417874f3bc5abb1df4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 20V, Positive-QTOF	splash10-002b-2602790000-d4cb93c397e35f42a998	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Safflor Yellow A 40V, Positive-QTOF	splash10-000i-9100550000-8db4db3df2ba6d1ebc96	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB000679

KNApSAcK ID

C00006246

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

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 Safflor Yellow A (HMDB0029537)

MOL for HMDB0029537 (Safflor Yellow A)

3D MOL for HMDB0029537 (Safflor Yellow A)

3D SDF for HMDB0029537 (Safflor Yellow A)

3D-SDF for HMDB0029537 (Safflor Yellow A)

PDB for HMDB0029537 (Safflor Yellow A)

3D PDB for HMDB0029537 (Safflor Yellow A)

SMILES for HMDB0029537 (Safflor Yellow A)

INCHI for HMDB0029537 (Safflor Yellow A)

Structure for HMDB0029537 (Safflor Yellow A)

3D Structure for HMDB0029537 (Safflor Yellow A)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra