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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:14:58 UTC

Update Date

2022-03-07 02:56:41 UTC

HMDB ID

HMDB0040677

Secondary Accession Numbers

HMDB40677

Metabolite Identification

Common Name

Hydroxysafflor yellow A

Description

Hydroxysafflor 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. Hydroxysafflor yellow A has been detected, but not quantified in, fats and oils and herbs and spices. This could make hydroxysafflor yellow a a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Hydroxysafflor yellow A.

Structure

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


  Mrv0541 05061312022D          

 43 46  0  0  0  0            999 V2000
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    1.4289   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 23  1  0  0  0  0
 43 13  1  0  0  0  0
 43 26  1  0  0  0  0
M  END

HMDB0040677
     RDKit          3D
Hydroxysafflor yellow A
 75 78  0  0  0  0  0  0  0  0999 V2000
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 41 75  1  0
M  END


  Mrv0541 05061312022D          

 43 46  0  0  0  0            999 V2000
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    0.0000   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632   -0.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378   -1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3635   -2.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390   -2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7643   -1.4594    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 12  1  0  0  0  0
 17 13  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 20  1  0  0  0  0
 23 15  1  0  0  0  0
 23 21  1  0  0  0  0
 24 14  2  0  0  0  0
 25 15  2  0  0  0  0
 26 22  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 22  1  0  0  0  0
 39 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41 27  1  0  0  0  0
 42 12  1  0  0  0  0
 42 23  1  0  0  0  0
 43 13  1  0  0  0  0
 43 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040677

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3-

> <INCHI_KEY>
LIPJRCGLQNIXGO-UTCJRWHESA-N

> <FORMULA>
C27H32O16

> <MOLECULAR_WEIGHT>
612.5334

> <EXACT_MASS>
612.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
58.02917691378923

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-2-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

> <ALOGPS_LOGP>
-1.48

> <JCHEM_LOGP>
-4.591517138333332

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.3660626922869525

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.19108403781521055

> <JCHEM_PKA_STRONGEST_BASIC>
-3.646764268278929

> <JCHEM_POLAR_SURFACE_AREA>
295.36

> <JCHEM_REFRACTIVITY>
142.5211

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-2-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040677
     RDKit          3D
Hydroxysafflor yellow A
 75 78  0  0  0  0  0  0  0  0999 V2000
    3.9228    0.1384    0.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037   -0.9266    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8116   -2.1444    0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0803   -2.3092    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388   -1.3905    0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3239   -0.4734   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    0.4534   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989    0.4510    0.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    1.3669    1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646   -0.4621    1.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0460   -1.3721    1.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643   -0.7536   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.6912    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027   -2.9771    0.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7566   -2.1869   -1.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8036   -1.5272   -0.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804   -1.7520    0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0675   -1.0211    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3123   -1.5320   -1.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -3.2194    0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -3.5595    1.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9558   -4.0641    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544   -4.5600   -0.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -3.3980    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -3.5885    2.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271   -0.0847   -0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1677    0.2177   -1.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    0.9129   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469    2.2876   -1.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620    2.2396   -1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    3.5426   -1.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2903    3.5577   -2.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4993    4.9026   -3.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3352    4.3720   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687    5.7183   -1.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440    4.0115    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378    5.2047    0.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.2765   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923    2.6160    1.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    0.6458   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329    1.5783   -0.4298 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -3.0966    0.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -3.3592    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118   -0.4712   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4441    1.1847   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478    2.0478    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377   -0.4829    2.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988   -2.1240    2.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624   -3.3019    1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.6713   -2.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -1.3641    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -1.3973    1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9799   -1.2457    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927    0.0685    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2157   -1.9191   -1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8989   -3.4056   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1176   -4.5368    1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0947   -4.9769    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218   -5.5121   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923   -3.9225    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -3.2211    2.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4052    0.0066   -1.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563    2.5996   -2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    3.9545   -2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624    2.9618   -3.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1887    3.2626   -2.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035    5.1651   -3.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831    4.1835   -0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8419    6.2742   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927    3.4368    1.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004    5.4603    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    4.0316   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596    2.2891    1.6667 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  1  0
 28 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 30 42  1  0
 42 43  2  0
 11  5  1  0
 42 12  1  0
 26 17  1  0
 40 31  1  0
  3 44  1  0
  4 45  1  0
  6 46  1  0
  7 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 14 51  1  0
 16 52  1  0
 17 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 29 64  1  0
 31 65  1  0
 33 66  1  0
 34 67  1  0
 34 68  1  0
 35 69  1  0
 36 70  1  0
 37 71  1  0
 38 72  1  0
 39 73  1  0
 40 74  1  0
 41 75  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      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.520  -0.059   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.243  -1.418   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.782  -1.472   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.505  -2.832   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.689  -4.138   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.150  -4.084   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -0.019  -0.005   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       0.000 -13.860   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.598  -0.166   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.044  -2.885   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.412  -5.498   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.873  -5.336   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       1.427  -2.724   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   16   42                                                  
CONECT   13    8   17   43                                                  
CONECT   14   11   18   24                                                  
CONECT   15   18   23   25                                                  
CONECT   16   12   19   32                                                  
CONECT   17   13   20   33                                                  
CONECT   18   14   15   34                                                  
CONECT   19   16   21   35                                                  
CONECT   20   17   22   36                                                  
CONECT   21   19   23   37                                                  
CONECT   22   20   26   38                                                  
CONECT   23   15   21   42                                                  
CONECT   24   14   27   39                                                  
CONECT   25   15   27   40                                                  
CONECT   26   22   27   43                                                  
CONECT   27   24   25   26   41                                             
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   22                                                            
CONECT   39   24                                                            
CONECT   40   25                                                            
CONECT   41   27                                                            
CONECT   42   12   23                                                       
CONECT   43   13   26                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

COMPND    HMDB0040677
HETATM    1  O1  UNL     1       3.923   0.138   0.262  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.204  -0.927   0.327  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.812  -2.144   0.700  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.080  -2.309   0.908  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.139  -1.391   0.802  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.324  -0.473  -0.168  1.00  0.00           C  
HETATM    7  C6  UNL     1       7.332   0.453  -0.134  1.00  0.00           C  
HETATM    8  C7  UNL     1       8.199   0.451   0.932  1.00  0.00           C  
HETATM    9  O2  UNL     1       9.231   1.367   1.010  1.00  0.00           O  
HETATM   10  C8  UNL     1       8.065  -0.462   1.953  1.00  0.00           C  
HETATM   11  C9  UNL     1       7.046  -1.372   1.887  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.764  -0.754  -0.014  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.858  -1.691   0.005  1.00  0.00           C  
HETATM   14  O3  UNL     1       1.303  -2.977   0.392  1.00  0.00           O  
HETATM   15  C12 UNL     1      -0.523  -1.474  -0.342  1.00  0.00           C  
HETATM   16  O4  UNL     1      -0.757  -2.187  -1.570  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.591  -1.945   0.597  1.00  0.00           C  
HETATM   18  O5  UNL     1      -2.804  -1.527  -0.028  1.00  0.00           O  
HETATM   19  C14 UNL     1      -3.880  -1.752   0.821  1.00  0.00           C  
HETATM   20  C15 UNL     1      -5.068  -1.021   0.240  1.00  0.00           C  
HETATM   21  O6  UNL     1      -5.312  -1.532  -1.034  1.00  0.00           O  
HETATM   22  C16 UNL     1      -4.161  -3.219   0.766  1.00  0.00           C  
HETATM   23  O7  UNL     1      -4.867  -3.559   1.944  1.00  0.00           O  
HETATM   24  C17 UNL     1      -2.956  -4.064   0.589  1.00  0.00           C  
HETATM   25  O8  UNL     1      -2.954  -4.560  -0.715  1.00  0.00           O  
HETATM   26  C18 UNL     1      -1.632  -3.398   0.898  1.00  0.00           C  
HETATM   27  O9  UNL     1      -1.459  -3.589   2.269  1.00  0.00           O  
HETATM   28  C19 UNL     1      -0.827  -0.085  -0.700  1.00  0.00           C  
HETATM   29  O10 UNL     1      -2.168   0.218  -1.036  1.00  0.00           O  
HETATM   30  C20 UNL     1       0.023   0.913  -0.741  1.00  0.00           C  
HETATM   31  C21 UNL     1      -0.447   2.288  -1.130  1.00  0.00           C  
HETATM   32  O11 UNL     1      -1.762   2.240  -1.549  1.00  0.00           O  
HETATM   33  C22 UNL     1      -2.076   3.543  -1.980  1.00  0.00           C  
HETATM   34  C23 UNL     1      -3.290   3.558  -2.881  1.00  0.00           C  
HETATM   35  O12 UNL     1      -3.499   4.903  -3.240  1.00  0.00           O  
HETATM   36  C24 UNL     1      -2.335   4.372  -0.769  1.00  0.00           C  
HETATM   37  O13 UNL     1      -2.269   5.718  -1.103  1.00  0.00           O  
HETATM   38  C25 UNL     1      -1.444   4.012   0.397  1.00  0.00           C  
HETATM   39  O14 UNL     1      -1.038   5.205   0.996  1.00  0.00           O  
HETATM   40  C26 UNL     1      -0.208   3.276  -0.029  1.00  0.00           C  
HETATM   41  O15 UNL     1       0.292   2.616   1.097  1.00  0.00           O  
HETATM   42  C27 UNL     1       1.399   0.646  -0.398  1.00  0.00           C  
HETATM   43  O16 UNL     1       2.233   1.578  -0.430  1.00  0.00           O  
HETATM   44  H1  UNL     1       3.247  -3.097   0.848  1.00  0.00           H  
HETATM   45  H2  UNL     1       5.406  -3.359   1.225  1.00  0.00           H  
HETATM   46  H3  UNL     1       5.712  -0.471  -1.097  1.00  0.00           H  
HETATM   47  H4  UNL     1       7.444   1.185  -0.947  1.00  0.00           H  
HETATM   48  H5  UNL     1       9.348   2.048   0.270  1.00  0.00           H  
HETATM   49  H6  UNL     1       8.738  -0.483   2.802  1.00  0.00           H  
HETATM   50  H7  UNL     1       6.899  -2.124   2.681  1.00  0.00           H  
HETATM   51  H8  UNL     1       1.062  -3.302   1.350  1.00  0.00           H  
HETATM   52  H9  UNL     1      -0.312  -1.671  -2.312  1.00  0.00           H  
HETATM   53  H10 UNL     1      -1.536  -1.364   1.527  1.00  0.00           H  
HETATM   54  H11 UNL     1      -3.625  -1.397   1.839  1.00  0.00           H  
HETATM   55  H12 UNL     1      -5.980  -1.246   0.846  1.00  0.00           H  
HETATM   56  H13 UNL     1      -4.893   0.069   0.143  1.00  0.00           H  
HETATM   57  H14 UNL     1      -6.216  -1.919  -1.137  1.00  0.00           H  
HETATM   58  H15 UNL     1      -4.899  -3.406  -0.059  1.00  0.00           H  
HETATM   59  H16 UNL     1      -5.118  -4.537   1.898  1.00  0.00           H  
HETATM   60  H17 UNL     1      -3.095  -4.977   1.243  1.00  0.00           H  
HETATM   61  H18 UNL     1      -2.622  -5.512  -0.740  1.00  0.00           H  
HETATM   62  H19 UNL     1      -0.892  -3.923   0.266  1.00  0.00           H  
HETATM   63  H20 UNL     1      -2.276  -3.221   2.699  1.00  0.00           H  
HETATM   64  H21 UNL     1      -2.405   0.007  -1.996  1.00  0.00           H  
HETATM   65  H22 UNL     1       0.156   2.600  -2.008  1.00  0.00           H  
HETATM   66  H23 UNL     1      -1.184   3.954  -2.486  1.00  0.00           H  
HETATM   67  H24 UNL     1      -3.162   2.962  -3.800  1.00  0.00           H  
HETATM   68  H25 UNL     1      -4.189   3.263  -2.303  1.00  0.00           H  
HETATM   69  H26 UNL     1      -2.803   5.165  -3.910  1.00  0.00           H  
HETATM   70  H27 UNL     1      -3.383   4.184  -0.438  1.00  0.00           H  
HETATM   71  H28 UNL     1      -2.842   6.274  -0.505  1.00  0.00           H  
HETATM   72  H29 UNL     1      -1.993   3.437   1.191  1.00  0.00           H  
HETATM   73  H30 UNL     1      -1.600   5.460   1.754  1.00  0.00           H  
HETATM   74  H31 UNL     1       0.574   4.032  -0.313  1.00  0.00           H  
HETATM   75  H32 UNL     1      -0.460   2.289   1.667  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4   44
CONECT    4    5   45
CONECT    5    6    6   11
CONECT    6    7   46
CONECT    7    8    8   47
CONECT    8    9   10
CONECT    9   48
CONECT   10   11   11   49
CONECT   11   50
CONECT   12   13   13   42
CONECT   13   14   15
CONECT   14   51
CONECT   15   16   17   28
CONECT   16   52
CONECT   17   18   26   53
CONECT   18   19
CONECT   19   20   22   54
CONECT   20   21   55   56
CONECT   21   57
CONECT   22   23   24   58
CONECT   23   59
CONECT   24   25   26   60
CONECT   25   61
CONECT   26   27   62
CONECT   27   63
CONECT   28   29   30   30
CONECT   29   64
CONECT   30   31   42
CONECT   31   32   40   65
CONECT   32   33
CONECT   33   34   36   66
CONECT   34   35   67   68
CONECT   35   69
CONECT   36   37   38   70
CONECT   37   71
CONECT   38   39   40   72
CONECT   39   73
CONECT   40   41   74
CONECT   41   75
CONECT   42   43   43
END

HMDB0040677
     RDKit          3D
Hydroxysafflor yellow A
 75 78  0  0  0  0  0  0  0  0999 V2000
    3.9228    0.1384    0.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037   -0.9266    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8116   -2.1444    0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0803   -2.3092    0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388   -1.3905    0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3239   -0.4734   -0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    0.4534   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989    0.4510    0.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2306    1.3669    1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0646   -0.4621    1.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0460   -1.3721    1.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643   -0.7536   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.6912    0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027   -2.9771    0.3923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226   -1.4739   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566   -2.1869   -1.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907   -1.9449    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8036   -1.5272   -0.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8804   -1.7520    0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0675   -1.0211    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3123   -1.5320   -1.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1608   -3.2194    0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -3.5595    1.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9558   -4.0641    0.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544   -4.5600   -0.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -3.3980    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -3.5885    2.2687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8271   -0.0847   -0.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1677    0.2177   -1.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231    0.9129   -0.7412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4469    2.2876   -1.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620    2.2396   -1.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    3.5426   -1.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2903    3.5577   -2.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4993    4.9026   -3.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3352    4.3720   -0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687    5.7183   -1.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4440    4.0115    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378    5.2047    0.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    3.2765   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923    2.6160    1.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    0.6458   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329    1.5783   -0.4298 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -3.0966    0.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -3.3592    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7118   -0.4712   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4441    1.1847   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478    2.0478    0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377   -0.4829    2.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988   -2.1240    2.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0624   -3.3019    1.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -1.6713   -2.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -1.3641    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6250   -1.3973    1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9799   -1.2457    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8927    0.0685    0.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2157   -1.9191   -1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8989   -3.4056   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1176   -4.5368    1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0947   -4.9769    1.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218   -5.5121   -0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923   -3.9225    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -3.2211    2.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4052    0.0066   -1.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563    2.5996   -2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    3.9545   -2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1624    2.9618   -3.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1887    3.2626   -2.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035    5.1651   -3.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831    4.1835   -0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8419    6.2742   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9927    3.4368    1.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6004    5.4603    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737    4.0316   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596    2.2891    1.6667 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  1  0
 28 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 30 42  1  0
 42 43  2  0
 11  5  1  0
 42 12  1  0
 26 17  1  0
 40 31  1  0
  3 44  1  0
  4 45  1  0
  6 46  1  0
  7 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 14 51  1  0
 16 52  1  0
 17 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 29 64  1  0
 31 65  1  0
 33 66  1  0
 34 67  1  0
 34 68  1  0
 35 69  1  0
 36 70  1  0
 37 71  1  0
 38 72  1  0
 39 73  1  0
 40 74  1  0
 41 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Safflomin a	HMDB

Chemical Formula

C₂₇H₃₂O₁₆

Average Molecular Weight

612.5334

Monoisotopic Molecular Weight

612.169034976

IUPAC Name

3,4,5-trihydroxy-2-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

Traditional Name

3,4,5-trihydroxy-2-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one

CAS Registry Number

146087-19-6

SMILES

OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O

InChI Identifier

InChI=1S/C27H32O16/c28-7-12-16(32)19(35)21(37)23(42-12)15-18(34)14(11(31)6-3-9-1-4-10(30)5-2-9)24(39)27(41,25(15)40)26-22(38)20(36)17(33)13(8-29)43-26/h1-6,12-13,16-17,19-23,26,28-30,32-33,35-41H,7-8H2/b6-3-

InChI Key

LIPJRCGLQNIXGO-UTCJRWHESA-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

Substituents

Hexose monosaccharide
Hydroxycinnamic acid or derivatives
C-glycosyl compound
Glycosyl compound
Styrene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Vinylogous acid
Alpha,beta-unsaturated ketone
Acryloyl-group
Tertiary alcohol
Enone
Secondary alcohol
Cyclic ketone
Ketone
Polyol
Organoheterocyclic compound
Oxacycle
Dialkyl ether
Enol
Ether
Primary alcohol
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Alcohol
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0040677)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040677)

Source

Endogenous

Endogenous (HMDB: HMDB0040677)

Plant

Plant (HMDB: HMDB0040677)

Exogenous

Food

Food (HMDB: HMDB0040677)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Process

Naturally occurring process

Biological process

Cellular process

Cell signaling (HMDB: HMDB0040677)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0040677)

Nutrient

Nutrient (HMDB: HMDB0040677)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0040677)

Emulsifier (HMDB: HMDB0040677)

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	3.63 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-4.6	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	-0.19	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	295.36 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	142.52 m³·mol⁻¹	ChemAxon
Polarizability	58.03 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	226.649	30932474
DeepCCS	[M-H]-	224.754	30932474
DeepCCS	[M-2H]-	257.994	30932474
DeepCCS	[M+Na]+	232.566	30932474
AllCCS	[M+H]+	238.6	32859911
AllCCS	[M+H-H2O]+	237.3	32859911
AllCCS	[M+NH4]+	239.8	32859911
AllCCS	[M+Na]+	240.2	32859911
AllCCS	[M-H]-	237.7	32859911
AllCCS	[M+Na-2H]-	239.8	32859911
AllCCS	[M+HCOO]-	242.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Hydroxysafflor yellow A	OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O	5691.0	Standard polar	33892256
Hydroxysafflor yellow A	OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O	4035.3	Standard non polar	33892256
Hydroxysafflor yellow A	OCC1OC(C(O)C(O)C1O)C1=C(O)C(O)(C2OC(CO)C(O)C(O)C2O)C(O)=C(C(=O)\C=C/C2=CC=C(O)C=C2)C1=O	5451.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Hydroxysafflor yellow A,1TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5276.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #10	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)C(C2OC(CO)C(O)C(O)C2O)=C1O	5322.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #11	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5293.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #12	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5405.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #2	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5318.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5306.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5323.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #5	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5289.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #6	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)C(C2OC(CO)C(O)C(O)C2O)=C1O	5315.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #7	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5286.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O	5325.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TMS,isomer #9	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O	5315.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5159.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5193.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5199.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #12	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5203.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #13	C[Si](C)(C)OC1C(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5229.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #14	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5189.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C1O	5231.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #16	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5209.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #17	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5216.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #18	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5211.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=O)C=C1	5296.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5184.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C1O	5235.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #21	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O[Si](C)(C)C	5239.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O[Si](C)(C)C	5234.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #23	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5189.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #24	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5216.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #25	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O)C1O	5177.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C1O	5216.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #27	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5200.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #28	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5202.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #29	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5196.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5139.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=O)C=C1	5280.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #31	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5199.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #32	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5226.8	Semi standard non polar	33892256
Hydroxysafflor 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)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O)C(O)C1O	5192.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5223.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #35	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5211.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5217.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #37	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5207.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #38	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=O)C=C1	5297.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #39	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5273.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5175.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #40	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5208.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #41	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5215.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #42	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5172.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #43	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5190.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #44	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5181.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #45	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5197.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #46	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5178.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #47	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O	5220.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #48	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O	5215.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #49	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)C(C2OC(CO)C(O)C(O)C2O)=C1O	5228.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5169.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #50	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5222.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #51	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5291.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #52	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O	5164.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5257.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #54	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5195.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #55	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5196.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #56	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5200.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #57	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5196.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5289.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #59	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C1O	5233.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5172.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #60	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O[Si](C)(C)C	5233.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #61	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5189.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #62	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5275.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #63	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O[Si](C)(C)C	5235.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #64	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5203.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #65	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(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5288.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #66	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5275.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5164.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5242.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5195.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #1	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5076.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #10	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5098.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #100	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5196.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #101	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5123.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #102	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O[Si](C)(C)C	5164.9	Semi standard non polar	33892256
Hydroxysafflor 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)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O)C1O	5125.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #104	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C(O)C1O	5156.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #105	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)C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2O)C1O	5148.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #106	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O[Si](C)(C)C	5148.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #107	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5133.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #108	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=O)C=C1	5224.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #109	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5171.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #11	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5058.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #110	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5087.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #111	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5105.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #112	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5066.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #113	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5087.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #114	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5080.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #115	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5096.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #116	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)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O)C1O	5092.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #117	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)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C1O	5130.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #118	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5120.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #119	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5139.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #12	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5100.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #120	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5117.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #121	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)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=O)C=C1	5211.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #122	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O	5063.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,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)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O)C1O	5168.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #124	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5112.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #125	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5127.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #126	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5121.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #127	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5092.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #128	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)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=O)C=C1	5186.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #129	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O[Si](C)(C)C)C1O	5145.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #13	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5095.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #130	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5130.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #131	C[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5131.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #132	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5089.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #133	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)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=O)C=C1	5182.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #134	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5103.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #135	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(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=O)C=C1	5196.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #136	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5175.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #137	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5179.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #138	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5098.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #139	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5113.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #14	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5110.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #140	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5073.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #141	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5092.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #142	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5089.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #143	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5102.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #144	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)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O)C(O)C1O	5104.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #145	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5132.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #146	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5129.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #147	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5146.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #148	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5124.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #149	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)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=O)C=C1	5219.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #15	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5087.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #150	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O	5071.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #151	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)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O)C(O)C1O	5176.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #152	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5125.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #153	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5135.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #154	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5132.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #155	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5142.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #156	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5142.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #157	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5098.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #158	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)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=O)C=C1	5198.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #159	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5142.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #16	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5184.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #160	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5097.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #161	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)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=O)C=C1	5193.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #162	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5109.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #163	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(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=O)C=C1	5205.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #164	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5184.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #165	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5185.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #166	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5188.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #167	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)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5157.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #168	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5169.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #169	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5163.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #17	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5141.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #170	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5181.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #171	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5126.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,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)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5077.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #173	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5084.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #174	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5073.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #175	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5087.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,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)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O	5060.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #177	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5096.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #178	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5089.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #179	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5107.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #18	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5136.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #180	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5091.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #181	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5097.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #182	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5093.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #183	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5112.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #184	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5106.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #185	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5108.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #186	C[Si](C)(C)OCC1OC(C2(O[Si](C)(C)C)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O	5067.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #187	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5168.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #188	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5112.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #189	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5113.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #19	C[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5144.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #190	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5114.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #191	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5107.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #192	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5201.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #193	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C1O	5154.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #194	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O[Si](C)(C)C	5155.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #195	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5102.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #196	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5198.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #197	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O[Si](C)(C)C	5160.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #198	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5117.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #199	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5216.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #2	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5024.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #20	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5080.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #200	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5198.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #201	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O	5150.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #202	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5088.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #203	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5093.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #204	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5090.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #205	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C(O)C1O	5185.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #206	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O[Si](C)(C)C)C1O	5192.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #207	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O[Si](C)(C)C	5190.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #208	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5141.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #209	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5153.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #21	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5082.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #210	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5158.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #211	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5172.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #212	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5120.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #213	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5117.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #214	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5214.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #215	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5213.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #216	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5188.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #217	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5167.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #218	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5117.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #219	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5216.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #22	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5070.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #220	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5186.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #23	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5032.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #24	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5133.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #25	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5097.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #26	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C2O)C(O)C(O)C1O	5093.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #27	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C2O)C(O)C(O)C1O	5100.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #28	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5111.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #29	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5108.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #3	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5058.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #30	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5067.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #31	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5157.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #32	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5119.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #33	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5115.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #34	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5125.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #35	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5108.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #36	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5060.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #37	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5153.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #38	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5111.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #39	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5115.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #4	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5048.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #40	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5119.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #41	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5074.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #42	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5163.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #43	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5122.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #44	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5122.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #45	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5128.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #46	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5158.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #47	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5108.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #48	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5107.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #49	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5110.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #5	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5064.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #50	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5191.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #51	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5190.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #52	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C	5196.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #53	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5161.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #54	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5157.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #55	C[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5161.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #56	C[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5118.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #57	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5120.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #58	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5187.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #59	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O[Si](C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5104.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #6	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5082.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #60	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5115.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #61	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C(O)C(O)C1O	5076.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #62	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5096.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #63	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5089.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #64	C[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5103.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #65	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)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5106.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #66	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)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C1O	5142.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #67	C[Si](C)(C)OC1C(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5135.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #68	C[Si](C)(C)OC1C(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5147.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #69	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C1(O[Si](C)(C)C)C1OC(CO)C(O)C(O)C1O	5130.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #7	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5150.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #70	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)C(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=O)C=C1	5227.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #71	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C1O	5166.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #72	C[Si](C)(C)OC1C(C2=C(O)C(O[Si](C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O[Si](C)(C)C	5171.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #73	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C)C(O)C(O)C1O	5075.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #74	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)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5178.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #75	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5125.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #76	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O	5128.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #77	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C(O)C1O	5121.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #78	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O[Si](C)(C)C)C1O	5135.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #79	C[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O)C(O)C1O[Si](C)(C)C	5129.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #8	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C(O)C1O	5094.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #80	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5102.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #81	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)C(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=O)C=C1	5201.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #82	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2O)C(O)C1O	5155.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #83	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C(O)C1O	5157.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #84	C[Si](C)(C)OC1C(CO)OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2O)C(O[Si](C)(C)C)C1O	5156.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #85	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5141.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #86	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5141.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #87	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5102.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #88	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)C(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=O)C=C1	5196.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #89	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C1O	5137.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #9	C[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C)C1O	5095.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #90	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)C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2O)C1O	5151.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #91	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5114.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #92	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(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=O)C=C1	5207.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #93	C[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C)C1O	5147.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #94	C[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O[Si](C)(C)C	5149.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #95	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5193.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #96	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5134.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #97	C[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5139.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #98	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=O)C=C1	5224.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,3TMS,isomer #99	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=O)C=C1	5228.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5448.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #10	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)C(C2OC(CO)C(O)C(O)C2O)=C1O	5512.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5521.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #12	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5565.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5513.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5508.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5519.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5509.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #6	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)C(C2OC(CO)C(O)C(O)C2O)=C1O	5501.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5454.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #8	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O	5523.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,1TBDMS,isomer #9	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O	5521.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O[Si](C)(C)C(C)(C)C)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5526.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5544.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5532.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5573.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C(O[Si](C)(C)C(C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5584.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C(O)C(O)C1O	5526.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #15	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)C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2O)C(O)C1O	5571.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5564.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O	5559.4	Semi standard non polar	33892256
Hydroxysafflor 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)C(C2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5590.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #19	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)C(O)=C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=O)C=C1	5637.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O[Si](C)(C)C(C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5529.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	5581.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5592.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	5580.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5571.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O[Si](C)(C)C(C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5571.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C(O)C(O)C1O	5519.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #26	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)C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2O)C(O)C1O	5561.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5563.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C1O	5553.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5582.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5463.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #30	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)C(O)=C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=O)C=C1	5629.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5572.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O[Si](C)(C)C(C)(C)C)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5580.4	Semi standard non polar	33892256
Hydroxysafflor 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)C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2O)C(O)C(O)C1O	5525.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5555.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5564.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C1O	5560.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5587.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #38	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)C(O)=C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=O)C=C1	5637.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5642.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5507.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O[Si](C)(C)C(C)(C)C)C1(O)C1OC(CO)C(O)C(O)C1O	5623.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O[Si](C)(C)C(C)(C)C)C1OC(CO)C(O)C(O)C1O	5597.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5536.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5560.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5569.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=C(C2OC(CO)C(O)C(O)C2O)C(=O)C(C(=O)/C=C\C2=CC=C(O)C=C2)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5567.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #46	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5519.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #47	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O	5570.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #48	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O	5577.5	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #49	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)C(C2OC(CO)C(O)C(O)C2O)=C1O	5583.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5513.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O[Si](C)(C)C(C)(C)C)C1OC(CO)C(O)C(O)C1O	5613.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #51	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5647.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C3OC(CO)C(O)C(O)C3O)C(=O)C(C(=O)/C=C\C3=CC=C(O)C=C3)=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5538.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #53	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O	5586.3	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5532.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5556.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC1OC(C2(O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C(=O)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5537.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5574.7	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #58	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5624.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #59	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5581.1	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5508.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #60	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5590.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5582.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #62	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5633.4	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #63	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)C(C3OC(CO)C(O)C(O)C3O)=C2O)C1O[Si](C)(C)C(C)(C)C	5588.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=C(C(=O)/C=C\C2=CC=C(O)C=C2)C(=O)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5582.0	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #65	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)C(O)=C(C3OC(CO)C(O)C(O)C3O)C2=O)C=C1	5629.2	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #66	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)C(C2OC(CO)C(O)C(O)C2O)=C(O)C1(O)C1OC(CO)C(O)C(O)C1O	5649.9	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O)C(O)C1O	5543.8	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)C2=O)C(O)C(O)C1O	5579.6	Semi standard non polar	33892256
Hydroxysafflor yellow A,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(C2=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C(O)=C(C(=O)/C=C\C3=CC=C(O)C=C3)C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5531.2	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 - Hydroxysafflor yellow A GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ul1-2200290000-1b2025776f06847f3ff0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (1 TMS) - 70eV, Positive	splash10-0g4i-4900048000-45f5d92e2790108df086	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_1_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Hydroxysafflor yellow A GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	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 - Hydroxysafflor yellow A 10V, Positive-QTOF	splash10-01ot-0200595000-b81681ba767c78bacbf4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 20V, Positive-QTOF	splash10-0002-1600490000-813a9a4875b240334e7f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 40V, Positive-QTOF	splash10-0032-1303950000-bba6e0562db2b8e48f6d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 10V, Negative-QTOF	splash10-01pk-0003932000-7c67b16c2bc94c6421f8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 20V, Negative-QTOF	splash10-01wf-2803690000-0bd4b21fb5f106a52b49	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 40V, Negative-QTOF	splash10-03di-5901220000-2c36ff93fe32db2c30f5	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 10V, Negative-QTOF	splash10-03e9-0000956000-5f22efe158e25afac70a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 20V, Negative-QTOF	splash10-0api-1200890000-2596dfba9db6c1122b07	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 40V, Negative-QTOF	splash10-0a4i-9213650000-53c4fb3701db18e3fafb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 10V, Positive-QTOF	splash10-03dj-0100189000-e7046b41bec5b85a2ed1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 20V, Positive-QTOF	splash10-0002-1200792000-2d18f844b4f93c7f3008	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Hydroxysafflor yellow A 40V, Positive-QTOF	splash10-01xt-9400410000-298aa148c25978037e9c	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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

FDB020474

KNApSAcK ID

C00024213

Chemspider ID

35014998

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 Hydroxysafflor yellow A (HMDB0040677)

MOL for HMDB0040677 (Hydroxysafflor yellow A)

3D MOL for HMDB0040677 (Hydroxysafflor yellow A)

3D SDF for HMDB0040677 (Hydroxysafflor yellow A)

3D-SDF for HMDB0040677 (Hydroxysafflor yellow A)

PDB for HMDB0040677 (Hydroxysafflor yellow A)

3D PDB for HMDB0040677 (Hydroxysafflor yellow A)

SMILES for HMDB0040677 (Hydroxysafflor yellow A)

INCHI for HMDB0040677 (Hydroxysafflor yellow A)

Structure for HMDB0040677 (Hydroxysafflor yellow A)

3D Structure for HMDB0040677 (Hydroxysafflor yellow A)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra