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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:53:11 UTC

Update Date

2022-03-07 02:53:33 UTC

HMDB ID

HMDB0033004

Secondary Accession Numbers

HMDB33004

Metabolite Identification

Common Name

6''-Caffeoylisoorientin

Description

6''-Caffeoylisoorientin belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 6''-Caffeoylisoorientin has been detected, but not quantified in, fruits and herbs and spices. This could make 6''-caffeoylisoorientin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6''-Caffeoylisoorientin.

Structure

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

  Mrv0541 05061306512D          

 44 48  0  0  0  0            999 V2000
    9.2881    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0026    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  2  0  0  0  0
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 12  1  1  0  0  0  0
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 43 20  1  0  0  0  0
 43 21  1  0  0  0  0
 44 22  1  0  0  0  0
 44 30  1  0  0  0  0
M  END

HMDB0033004
     RDKit          3D
6''-Caffeoylisoorientin
 70 74  0  0  0  0  0  0  0  0999 V2000
    3.7831   -1.8533   -2.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -0.8329   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
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 44 70  1  0
M  END

  Mrv0541 05061306512D          

 44 48  0  0  0  0            999 V2000
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    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
 12  1  1  0  0  0  0
 12  2  1  0  0  0  0
 12  7  2  0  0  0  0
 13  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
 16 14  2  0  0  0  0
 17  8  1  0  0  0  0
 17 15  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20  9  2  0  0  0  0
 20 13  1  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23  6  1  0  0  0  0
 24 18  1  0  0  0  0
 24 21  2  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 14  1  0  0  0  0
 32 15  1  0  0  0  0
 33 16  1  0  0  0  0
 34 17  1  0  0  0  0
 35 18  2  0  0  0  0
 36 19  1  0  0  0  0
 37 23  2  0  0  0  0
 38 26  1  0  0  0  0
 39 27  1  0  0  0  0
 40 28  1  0  0  0  0
 41 29  1  0  0  0  0
 42 11  1  0  0  0  0
 42 23  1  0  0  0  0
 43 20  1  0  0  0  0
 43 21  1  0  0  0  0
 44 22  1  0  0  0  0
 44 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033004

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+

> <INCHI_KEY>
AINXWDZMEIYUSK-QHHAFSJGSA-N

> <FORMULA>
C30H26O14

> <MOLECULAR_WEIGHT>
610.519

> <EXACT_MASS>
610.13225554

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
60.0583640302181

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
2.0725629816666666

> <ALOGPS_LOGS>
-3.39

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.414079266872452

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.19618445723714

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649145588169511

> <JCHEM_POLAR_SURFACE_AREA>
243.89999999999995

> <JCHEM_REFRACTIVITY>
151.54260000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033004
     RDKit          3D
6''-Caffeoylisoorientin
 70 74  0  0  0  0  0  0  0  0999 V2000
    3.7831   -1.8533   -2.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -0.8329   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333   -0.8340   -1.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    0.1713   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926    0.2663   -1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948   -0.7323   -1.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1926   -0.6324   -1.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8170    0.4801   -1.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2073    0.5689   -1.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109    1.4816   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6165    2.6149   -0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6363    1.3917   -0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    0.2009   -1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    0.2098   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077   -0.8767   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264   -0.8912   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -0.2191    0.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642   -0.0684    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068    0.2515   -0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    0.4277   -1.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725    0.4256   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4954    0.2885    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7599    0.4666   -0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7215    0.3625    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1210    0.5785    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1792    0.4902    1.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4974    0.6988    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7424    1.0018   -0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0457    1.2208   -1.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6805    1.0926   -1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8808    1.3984   -2.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3852    0.8869   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3855    0.0501    2.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0676   -0.1482    2.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -0.4313    3.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0723   -0.0298    1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -0.2045    1.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -0.5090    2.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254   -0.8570    2.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006    0.1247    3.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.4852    2.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8267    1.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -0.7802    1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858   -1.3868    1.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3687   -1.6830   -1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9676    1.0142   -0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3744   -1.6366   -2.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8082   -1.4426   -1.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7485   -0.1942   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6180    2.7188   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9839    2.1662   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.2128   -0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511    0.1328   -2.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -1.8555   -0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951    0.8422    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4852    0.4023   -1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8996    0.6786   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0244    0.2554    2.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3237    0.6248    1.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7980    1.1454   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7971    1.5677   -3.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5397    0.9556   -1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1346   -0.0501    2.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546   -0.6529    3.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119   -1.6774    2.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    0.0770    3.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257   -1.3694    3.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725   -3.0366    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    0.2957    1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563   -2.0428    1.7741 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  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 24 33  2  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
 17 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 12  5  1  0
 43 15  1  0
 37 18  1  0
 36 22  1  0
 32 25  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 11 50  1  0
 12 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 17 55  1  0
 20 56  1  0
 21 57  1  0
 26 58  1  0
 27 59  1  0
 29 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 38 64  1  0
 39 65  1  0
 40 66  1  0
 41 67  1  0
 42 68  1  0
 43 69  1  0
 44 70  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      17.338   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.671   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.004   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.672   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      17.338   6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      20.005   6.930   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      17.338   8.470   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       9.336   6.930   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.668   8.470   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
CONECT    1    4   12                                                       
CONECT    2    6   12                                                       
CONECT    3    5   13                                                       
CONECT    4    1   14                                                       
CONECT    5    3   15                                                       
CONECT    6    2   23                                                       
CONECT    7   12   16                                                       
CONECT    8   13   17                                                       
CONECT    9   18   20                                                       
CONECT   10   19   21                                                       
CONECT   11   22   42                                                       
CONECT   12    1    2    7                                                  
CONECT   13    3    8   20                                                  
CONECT   14    4   16   31                                                  
CONECT   15    5   17   32                                                  
CONECT   16    7   14   33                                                  
CONECT   17    8   15   34                                                  
CONECT   18    9   24   35                                                  
CONECT   19   10   25   36                                                  
CONECT   20    9   13   43                                                  
CONECT   21   10   24   43                                                  
CONECT   22   11   26   44                                                  
CONECT   23    6   37   42                                                  
CONECT   24   18   21   27                                                  
CONECT   25   19   27   30                                                  
CONECT   26   22   28   38                                                  
CONECT   27   24   25   39                                                  
CONECT   28   26   29   40                                                  
CONECT   29   28   30   41                                                  
CONECT   30   25   29   44                                                  
CONECT   31   14                                                            
CONECT   32   15                                                            
CONECT   33   16                                                            
CONECT   34   17                                                            
CONECT   35   18                                                            
CONECT   36   19                                                            
CONECT   37   23                                                            
CONECT   38   26                                                            
CONECT   39   27                                                            
CONECT   40   28                                                            
CONECT   41   29                                                            
CONECT   42   11   23                                                       
CONECT   43   20   21                                                       
CONECT   44   22   30                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0033004
HETATM    1  O1  UNL     1       3.783  -1.853  -2.006  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.360  -0.833  -1.556  1.00  0.00           C  
HETATM    3  C2  UNL     1       5.833  -0.834  -1.587  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.544   0.171  -1.142  1.00  0.00           C  
HETATM    5  C4  UNL     1       7.993   0.266  -1.129  1.00  0.00           C  
HETATM    6  C5  UNL     1       8.795  -0.732  -1.621  1.00  0.00           C  
HETATM    7  C6  UNL     1      10.193  -0.632  -1.598  1.00  0.00           C  
HETATM    8  C7  UNL     1      10.817   0.480  -1.077  1.00  0.00           C  
HETATM    9  O2  UNL     1      12.207   0.569  -1.059  1.00  0.00           O  
HETATM   10  C8  UNL     1      10.011   1.482  -0.584  1.00  0.00           C  
HETATM   11  O3  UNL     1      10.617   2.615  -0.053  1.00  0.00           O  
HETATM   12  C9  UNL     1       8.636   1.392  -0.603  1.00  0.00           C  
HETATM   13  O4  UNL     1       3.619   0.201  -1.076  1.00  0.00           O  
HETATM   14  C10 UNL     1       2.208   0.210  -1.044  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.608  -0.877  -0.211  1.00  0.00           C  
HETATM   16  O5  UNL     1       0.226  -0.891  -0.159  1.00  0.00           O  
HETATM   17  C12 UNL     1      -0.316  -0.219   0.935  1.00  0.00           C  
HETATM   18  C13 UNL     1      -1.764  -0.068   0.744  1.00  0.00           C  
HETATM   19  C14 UNL     1      -2.207   0.251  -0.532  1.00  0.00           C  
HETATM   20  O6  UNL     1      -1.413   0.428  -1.632  1.00  0.00           O  
HETATM   21  C15 UNL     1      -3.572   0.426  -0.786  1.00  0.00           C  
HETATM   22  C16 UNL     1      -4.495   0.289   0.201  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.760   0.467  -0.109  1.00  0.00           O  
HETATM   24  C17 UNL     1      -6.721   0.363   0.751  1.00  0.00           C  
HETATM   25  C18 UNL     1      -8.121   0.579   0.325  1.00  0.00           C  
HETATM   26  C19 UNL     1      -9.179   0.490   1.183  1.00  0.00           C  
HETATM   27  C20 UNL     1     -10.497   0.699   0.761  1.00  0.00           C  
HETATM   28  C21 UNL     1     -10.742   1.002  -0.554  1.00  0.00           C  
HETATM   29  O8  UNL     1     -12.046   1.221  -1.030  1.00  0.00           O  
HETATM   30  C22 UNL     1      -9.680   1.093  -1.425  1.00  0.00           C  
HETATM   31  O9  UNL     1      -9.881   1.398  -2.771  1.00  0.00           O  
HETATM   32  C23 UNL     1      -8.385   0.887  -1.007  1.00  0.00           C  
HETATM   33  C24 UNL     1      -6.386   0.050   2.043  1.00  0.00           C  
HETATM   34  C25 UNL     1      -5.068  -0.148   2.420  1.00  0.00           C  
HETATM   35  O10 UNL     1      -4.775  -0.431   3.596  1.00  0.00           O  
HETATM   36  C26 UNL     1      -4.072  -0.030   1.483  1.00  0.00           C  
HETATM   37  C27 UNL     1      -2.720  -0.205   1.744  1.00  0.00           C  
HETATM   38  O11 UNL     1      -2.321  -0.509   2.987  1.00  0.00           O  
HETATM   39  C28 UNL     1       0.025  -0.857   2.232  1.00  0.00           C  
HETATM   40  O12 UNL     1       0.101   0.125   3.219  1.00  0.00           O  
HETATM   41  C29 UNL     1       1.431  -1.485   2.204  1.00  0.00           C  
HETATM   42  O13 UNL     1       1.337  -2.827   1.886  1.00  0.00           O  
HETATM   43  C30 UNL     1       2.233  -0.780   1.168  1.00  0.00           C  
HETATM   44  O14 UNL     1       3.486  -1.387   1.083  1.00  0.00           O  
HETATM   45  H1  UNL     1       6.369  -1.683  -1.985  1.00  0.00           H  
HETATM   46  H2  UNL     1       5.968   1.014  -0.745  1.00  0.00           H  
HETATM   47  H3  UNL     1       8.374  -1.637  -2.046  1.00  0.00           H  
HETATM   48  H4  UNL     1      10.808  -1.443  -1.997  1.00  0.00           H  
HETATM   49  H5  UNL     1      12.749  -0.194  -1.433  1.00  0.00           H  
HETATM   50  H6  UNL     1      11.618   2.719  -0.021  1.00  0.00           H  
HETATM   51  H7  UNL     1       7.984   2.166  -0.220  1.00  0.00           H  
HETATM   52  H8  UNL     1       1.818   1.213  -0.715  1.00  0.00           H  
HETATM   53  H9  UNL     1       1.851   0.133  -2.116  1.00  0.00           H  
HETATM   54  H10 UNL     1       1.913  -1.855  -0.634  1.00  0.00           H  
HETATM   55  H11 UNL     1       0.095   0.842   0.952  1.00  0.00           H  
HETATM   56  H12 UNL     1      -0.485   0.402  -1.835  1.00  0.00           H  
HETATM   57  H13 UNL     1      -3.900   0.679  -1.808  1.00  0.00           H  
HETATM   58  H14 UNL     1      -9.024   0.255   2.214  1.00  0.00           H  
HETATM   59  H15 UNL     1     -11.324   0.625   1.453  1.00  0.00           H  
HETATM   60  H16 UNL     1     -12.798   1.145  -0.361  1.00  0.00           H  
HETATM   61  H17 UNL     1     -10.797   1.568  -3.177  1.00  0.00           H  
HETATM   62  H18 UNL     1      -7.540   0.956  -1.685  1.00  0.00           H  
HETATM   63  H19 UNL     1      -7.135  -0.050   2.811  1.00  0.00           H  
HETATM   64  H20 UNL     1      -2.755  -0.653   3.814  1.00  0.00           H  
HETATM   65  H21 UNL     1      -0.612  -1.677   2.567  1.00  0.00           H  
HETATM   66  H22 UNL     1       0.896   0.077   3.773  1.00  0.00           H  
HETATM   67  H23 UNL     1       1.926  -1.369   3.175  1.00  0.00           H  
HETATM   68  H24 UNL     1       1.973  -3.037   1.165  1.00  0.00           H  
HETATM   69  H25 UNL     1       2.432   0.296   1.441  1.00  0.00           H  
HETATM   70  H26 UNL     1       3.656  -2.043   1.774  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   45
CONECT    4    5   46
CONECT    5    6    6   12
CONECT    6    7   47
CONECT    7    8    8   48
CONECT    8    9   10
CONECT    9   49
CONECT   10   11   12   12
CONECT   11   50
CONECT   12   51
CONECT   13   14
CONECT   14   15   52   53
CONECT   15   16   43   54
CONECT   16   17
CONECT   17   18   39   55
CONECT   18   19   19   37
CONECT   19   20   21
CONECT   20   56
CONECT   21   22   22   57
CONECT   22   23   36
CONECT   23   24
CONECT   24   25   33   33
CONECT   25   26   26   32
CONECT   26   27   58
CONECT   27   28   28   59
CONECT   28   29   30
CONECT   29   60
CONECT   30   31   32   32
CONECT   31   61
CONECT   32   62
CONECT   33   34   63
CONECT   34   35   35   36
CONECT   36   37   37
CONECT   37   38
CONECT   38   64
CONECT   39   40   41   65
CONECT   40   66
CONECT   41   42   43   67
CONECT   42   68
CONECT   43   44   69
CONECT   44   70
END

HMDB0033004
     RDKit          3D
6''-Caffeoylisoorientin
 70 74  0  0  0  0  0  0  0  0999 V2000
    3.7831   -1.8533   -2.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596   -0.8329   -1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333   -0.8340   -1.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    0.1713   -1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926    0.2663   -1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7948   -0.7323   -1.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1926   -0.6324   -1.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8170    0.4801   -1.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2073    0.5689   -1.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109    1.4816   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6165    2.6149   -0.0528 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6363    1.3917   -0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    0.2009   -1.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    0.2098   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6077   -0.8767   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264   -0.8912   -0.1591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -0.2191    0.9354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642   -0.0684    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068    0.2515   -0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4131    0.4277   -1.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5725    0.4256   -0.7864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4954    0.2885    0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7599    0.4666   -0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7215    0.3625    0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1210    0.5785    0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1792    0.4902    1.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4974    0.6988    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7424    1.0018   -0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0457    1.2208   -1.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6805    1.0926   -1.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8808    1.3984   -2.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3852    0.8869   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3855    0.0501    2.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0676   -0.1482    2.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746   -0.4313    3.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0723   -0.0298    1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203   -0.2045    1.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -0.5090    2.9870 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0254   -0.8570    2.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006    0.1247    3.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310   -1.4852    2.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -2.8267    1.8862 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -0.7802    1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4858   -1.3868    1.0829 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3687   -1.6830   -1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9676    1.0142   -0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3744   -1.6366   -2.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8082   -1.4426   -1.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7485   -0.1942   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6180    2.7188   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9839    2.1662   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.2128   -0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8511    0.1328   -2.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -1.8555   -0.6343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951    0.8422    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4852    0.4023   -1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8996    0.6786   -1.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0244    0.2554    2.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3237    0.6248    1.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7980    1.1454   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7971    1.5677   -3.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5397    0.9556   -1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1346   -0.0501    2.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546   -0.6529    3.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119   -1.6774    2.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    0.0770    3.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257   -1.3694    3.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725   -3.0366    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4325    0.2957    1.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563   -2.0428    1.7741 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  1  0
 10 12  2  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 24 33  2  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
 17 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 12  5  1  0
 43 15  1  0
 37 18  1  0
 36 22  1  0
 32 25  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 11 50  1  0
 12 51  1  0
 14 52  1  0
 14 53  1  0
 15 54  1  0
 17 55  1  0
 20 56  1  0
 21 57  1  0
 26 58  1  0
 27 59  1  0
 29 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  0
 38 64  1  0
 39 65  1  0
 40 66  1  0
 41 67  1  0
 42 68  1  0
 43 69  1  0
 44 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
{6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid	HMDB

Chemical Formula

C₃₀H₂₆O₁₄

Average Molecular Weight

610.519

Monoisotopic Molecular Weight

610.13225554

IUPAC Name

{6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Traditional Name

{6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O

InChI Identifier

InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+

InChI Key

AINXWDZMEIYUSK-QHHAFSJGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
Hydroxyflavonoid
Flavone
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3'-hydroxyflavonoid
Phenolic glycoside
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Coumaric acid or derivatives
Cinnamic acid or derivatives
Glycosyl compound
C-glycosyl compound
Chromone
1-benzopyran
Benzopyran
Styrene
Catechol
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Pyranone
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Pyran
Oxane
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Polyol
Dialkyl ether
Ether
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033004)
Cytoplasm (HMDB: HMDB0033004)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033004)

Source

Exogenous

Exogenous (HMDB: HMDB0033004)

Food

Food (HMDB: HMDB0033004)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0033004)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0033004)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	224 - 226 °C	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	0.25 g/L	ALOGPS
logP	2.4	ALOGPS
logP	2.07	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	243.9 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	151.54 m³·mol⁻¹	ChemAxon
Polarizability	60.06 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	233.241	30932474
DeepCCS	[M-H]-	231.416	30932474
DeepCCS	[M-2H]-	264.658	30932474
DeepCCS	[M+Na]+	238.847	30932474
AllCCS	[M+H]+	238.7	32859911
AllCCS	[M+H-H2O]+	237.3	32859911
AllCCS	[M+NH4]+	239.9	32859911
AllCCS	[M+Na]+	240.3	32859911
AllCCS	[M-H]-	233.7	32859911
AllCCS	[M+Na-2H]-	236.2	32859911
AllCCS	[M+HCOO]-	239.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6''-Caffeoylisoorientin	OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O	8413.4	Standard polar	33892256
6''-Caffeoylisoorientin	OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O	5069.4	Standard non polar	33892256
6''-Caffeoylisoorientin	OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O	6374.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6''-Caffeoylisoorientin,1TMS,isomer #1	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O)C1O	6033.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #2	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	6117.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6112.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #4	C[Si](C)(C)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	6042.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C1O	6072.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #6	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6015.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #7	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	6073.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	6078.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TMS,isomer #9	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6074.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	6011.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	6056.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #11	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	6040.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #12	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	6014.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #13	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	6026.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #14	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	6044.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C	6064.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6068.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6054.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6038.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	6003.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #2	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	6017.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	6022.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	6038.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5983.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5986.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5979.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #25	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5918.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #26	C[Si](C)(C)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	5983.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #27	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6009.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5998.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #29	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5993.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5988.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #30	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5946.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #31	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5991.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	5971.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #33	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5958.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #34	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	6021.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5986.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	6034.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	5974.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5969.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #6	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5930.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #7	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O[Si](C)(C)C)C1O	5982.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #8	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O)C1O[Si](C)(C)C	5978.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TMS,isomer #9	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	6070.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5866.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #10	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5829.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #11	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5808.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #12	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	5893.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #13	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5877.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5834.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5829.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5813.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5849.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #18	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5859.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	5761.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5838.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5845.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5865.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5861.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5751.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5833.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #25	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5852.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #26	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5772.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #27	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5780.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #28	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5871.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5851.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5823.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #30	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	5843.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #31	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	5870.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #32	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5871.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #33	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5868.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C	5954.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	5802.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	5922.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #37	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5825.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #38	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5838.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #39	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	5878.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5795.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #40	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	5793.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #41	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5828.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #42	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5812.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5910.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #44	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5801.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #45	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5810.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O[Si](C)(C)C	5890.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #47	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	5881.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	5938.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	5933.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5891.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	5847.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	5836.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	5858.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5862.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5862.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	5874.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	5793.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5836.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5823.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	5779.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5874.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5822.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #61	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5809.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #62	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5788.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5798.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #64	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5875.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5833.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #66	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5828.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #67	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5801.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #68	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5846.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5755.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5928.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5847.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5872.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #72	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5746.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #73	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5838.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #74	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5770.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5829.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #76	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5822.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #77	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5808.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5765.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #79	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5864.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #8	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5876.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #80	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5756.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5824.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #82	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5817.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5814.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5884.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,3TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	5843.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5604.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5630.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5631.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5672.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #102	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	5609.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #103	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5649.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #104	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5630.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #105	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5541.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #106	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5567.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #107	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5629.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #108	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5531.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #109	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5555.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	5682.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #110	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5613.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #111	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	5621.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5618.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5644.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5679.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #115	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5611.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #116	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5631.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #117	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5658.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5591.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5633.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5538.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #120	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5708.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #121	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5581.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #122	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5597.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #123	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5656.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #124	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5588.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #125	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5619.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #126	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5687.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5627.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5612.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #15	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5666.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5641.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5626.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5699.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5735.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5588.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #20	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5778.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5758.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5608.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #23	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5598.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #24	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5659.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #25	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	5692.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #26	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5678.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	5562.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5633.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5650.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5644.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #30	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5647.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #31	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	5555.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #32	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	5635.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #33	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5618.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #34	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	5651.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #35	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5635.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #36	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	5744.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #37	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5614.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #38	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5646.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5660.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5686.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #40	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5673.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #41	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5604.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5632.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #43	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5649.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #44	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5654.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #45	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5679.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #46	C[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5721.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5597.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5610.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5629.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	5674.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5720.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5704.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O[Si](C)(C)C	5724.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #53	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5587.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #54	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5602.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #55	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5705.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #56	C[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	5671.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5630.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5681.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5611.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	5739.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C3O2)C=C1O	5601.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #61	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	5651.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #62	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	5622.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #63	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5593.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #64	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5599.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #65	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C)C=C3O2)=CC=C1O	5672.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #66	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5663.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #67	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5643.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O[Si](C)(C)C	5760.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #69	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	5677.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5641.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	5743.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	5726.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	5652.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5575.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5552.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #75	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	5622.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #76	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)C=C1O	5666.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5687.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #78	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C	5732.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #79	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C)=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C(O)C=C3O2)C=C1O	5632.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	5550.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #80	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5634.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #81	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5655.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #82	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	5547.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #83	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	5568.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #84	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	5644.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #85	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	5620.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #86	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O)C4O[Si](C)(C)C)=C(O)C=C3O2)=CC=C1O	5673.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #87	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)C(O)C(O[Si](C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	5653.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #88	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	5629.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	5702.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	5645.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #90	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	5694.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #91	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	5762.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #92	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	5647.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #93	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	5620.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #94	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5596.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #95	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5611.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	5609.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5584.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	5596.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	5646.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O)C1O	6315.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	6338.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6334.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	6339.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C1O	6346.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6287.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	6289.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	6299.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6282.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	6447.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	6492.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	6464.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	6500.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	6487.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	6490.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	6495.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6483.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6494.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)C=C1O	6469.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1O	6491.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	6450.3	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	6484.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(C3=C(O)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	6487.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6436.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)C=C1O	6455.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C(O)C=C3O2)=CC=C1O	6439.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6445.8	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	6479.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6453.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)C=C1O	6459.9	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C(O)C=C3O2)=CC=C1O	6443.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6425.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6455.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6480.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O	6463.4	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)=CC=C1O	6446.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	6433.5	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6426.7	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O)C(O)C4O)=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	6452.6	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)C=C1O	6420.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C(C4OC(COC(=O)/C=C/C5=CC=C(O)C(O)=C5)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C(O)C=C3O2)=CC=C1O	6402.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(C2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	6433.0	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	6482.1	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(C2=C(O)C=C3OC(C4=CC=C(O)C(O)=C4)=CC(=O)C3=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	6465.2	Semi standard non polar	33892256
6''-Caffeoylisoorientin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(C3=C(O[Si](C)(C)C(C)(C)C)C=C4OC(C5=CC=C(O)C(O)=C5)=CC(=O)C4=C3O)C(O)C(O)C2O)=CC=C1O	6478.8	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 - 6''-Caffeoylisoorientin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-0398360000-c86736123f99a9a43f31	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (1 TMS) - 70eV, Positive	splash10-000b-2779225000-3b3d5de0654640d3a9c1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Caffeoylisoorientin GC-MS (TMS_2_15) - 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 - 6''-Caffeoylisoorientin 10V, Positive-QTOF	splash10-03di-0911868000-b699240f2be6b28eaf02	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 20V, Positive-QTOF	splash10-03e9-0911730000-f88e25fa113c1b29c049	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 40V, Positive-QTOF	splash10-03dj-1679140000-a4b463431121e3f9a0fb	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 10V, Negative-QTOF	splash10-06vi-0910103000-dde3ed8eaef6ab1dc2df	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 20V, Negative-QTOF	splash10-01t9-0911100000-7959c29be9860ae3d848	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 40V, Negative-QTOF	splash10-01ti-1911000000-38dcb915b661e0f6e844	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 10V, Negative-QTOF	splash10-0a4i-0000009000-f13210599c8f602639a6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 20V, Negative-QTOF	splash10-0a4i-0000009000-c4dbb6f2079eccf940d1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 40V, Negative-QTOF	splash10-004i-0920713000-8c09bb881ee71ac2ce42	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 10V, Positive-QTOF	splash10-03di-0000009000-fbe5da1ff0f6b81a4e76	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 20V, Positive-QTOF	splash10-03di-0000009000-fbe5da1ff0f6b81a4e76	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Caffeoylisoorientin 40V, Positive-QTOF	splash10-01ti-0400926000-e74a4c522ba2a9e317f9	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010994

KNApSAcK ID

Not Available

Chemspider ID

35013521

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751355

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 6''-Caffeoylisoorientin (HMDB0033004)

MOL for HMDB0033004 (6''-Caffeoylisoorientin)

3D MOL for HMDB0033004 (6''-Caffeoylisoorientin)

3D SDF for HMDB0033004 (6''-Caffeoylisoorientin)

3D-SDF for HMDB0033004 (6''-Caffeoylisoorientin)

PDB for HMDB0033004 (6''-Caffeoylisoorientin)

3D PDB for HMDB0033004 (6''-Caffeoylisoorientin)

SMILES for HMDB0033004 (6''-Caffeoylisoorientin)

INCHI for HMDB0033004 (6''-Caffeoylisoorientin)

Structure for HMDB0033004 (6''-Caffeoylisoorientin)

3D Structure for HMDB0033004 (6''-Caffeoylisoorientin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra