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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:29:04 UTC

Update Date

2022-03-07 02:54:31 UTC

HMDB ID

HMDB0035486

Secondary Accession Numbers

HMDB35486

Metabolite Identification

Common Name

6-Caffeoylsucrose

Description

6-Caffeoylsucrose belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 6-Caffeoylsucrose has been detected, but not quantified in, several different foods, such as black tea, herbs and spices, red tea, green tea, and teas (Camellia sinensis). This could make 6-caffeoylsucrose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6-Caffeoylsucrose.

Structure

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

  Mrv0541 05061308302D          

 35 37  0  0  0  0            999 V2000
    3.6833   11.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   10.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   12.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    9.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243   11.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    7.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938    4.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313   10.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214   12.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400    6.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    8.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    6.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    6.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1359    5.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3132    3.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429    5.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    3.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839    1.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868    4.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   13.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2624   11.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8961    8.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    7.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    1.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    6.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839    4.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    3.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    8.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    5.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    3.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    4.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 14  2  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32  7  1  0  0  0  0
 32 14  1  0  0  0  0
 33 13  1  0  0  0  0
 33 20  1  0  0  0  0
 34 12  1  0  0  0  0
 34 21  1  0  0  0  0
 35 20  1  0  0  0  0
 35 21  1  0  0  0  0
M  END

HMDB0035486
     RDKit          3D
6-Caffeoylsucrose
 63 65  0  0  0  0  0  0  0  0999 V2000
    2.9702    2.5791    0.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439    1.5009   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    0.6508   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3871   -0.5012   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5179   -1.4009   -0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912   -2.5938   -1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419   -3.4731   -1.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842   -3.1898   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7360   -4.0872   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6345   -2.0042    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -1.7012    1.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5612   -1.1238    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564    1.1336   -1.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464    1.9601   -1.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    2.2002   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    1.0098    0.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337    1.1331    0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6162    0.9666    0.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4443   -0.1039    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595    0.0917    1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9006   -0.9488    2.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4585   -0.1014   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8004   -1.3678   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2668   -1.6460   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8902   -0.7382   -1.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -2.3337   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922   -3.3900   -0.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -1.4324    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -1.9239    1.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    2.4631    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.4766    2.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731    3.6221    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    4.1901    0.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    3.1361   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5838    4.2540   -1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903    0.9577    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -0.7920   -1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -2.8377   -2.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6893   -4.4067   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212   -3.9373    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6823   -0.8404    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963   -0.2337    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    2.9220   -2.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600    1.4905   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    2.7468    0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636    0.3558    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6747    1.0329    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3056    0.2288    2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8270   -0.6622    2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960   -1.4921   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4928   -2.6517   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7136   -1.6139    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4047   -0.0553   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   -2.7881    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954   -3.9708   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0461   -1.5162   -0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641   -2.7246    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3876    2.5618    2.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    2.2204    3.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175    4.3709    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969    4.9411   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    2.6723   -1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364    4.7150   -0.8832 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  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 12  5  1  0
 34 15  1  0
 28 19  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 17 46  1  0
 20 47  1  0
 20 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 24 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
 29 57  1  0
 30 58  1  0
 31 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 35 63  1  0
M  END

  Mrv0541 05061308302D          

 35 37  0  0  0  0            999 V2000
    3.6833   11.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3862   10.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284   12.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    9.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243   11.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7484    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    7.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0938    4.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313   10.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214   12.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400    6.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    8.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    6.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0583    2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    6.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1359    5.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3132    3.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9429    5.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    3.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839    1.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868    4.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   13.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2624   11.9605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8961    8.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    7.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432    1.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    6.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839    4.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    3.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371    8.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    5.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9784    3.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    4.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 21 19  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 14  2  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32  7  1  0  0  0  0
 32 14  1  0  0  0  0
 33 13  1  0  0  0  0
 33 20  1  0  0  0  0
 34 12  1  0  0  0  0
 34 21  1  0  0  0  0
 35 20  1  0  0  0  0
 35 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035486

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+

> <INCHI_KEY>
UZUDNVXQOKQTDO-DUXPYHPUSA-N

> <FORMULA>
C21H28O14

> <MOLECULAR_WEIGHT>
504.4386

> <EXACT_MASS>
504.147905604

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
47.85092988856659

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
-1.24

> <JCHEM_LOGP>
-2.102074889

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.775361205534262

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.207628137551078

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4558260660598448

> <JCHEM_POLAR_SURFACE_AREA>
236.05999999999995

> <JCHEM_REFRACTIVITY>
112.30359999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.42e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035486
     RDKit          3D
6-Caffeoylsucrose
 63 65  0  0  0  0  0  0  0  0999 V2000
    2.9702    2.5791    0.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439    1.5009   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    0.6508   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3871   -0.5012   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5179   -1.4009   -0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912   -2.5938   -1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419   -3.4731   -1.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842   -3.1898   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7360   -4.0872   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6345   -2.0042    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -1.7012    1.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5612   -1.1238    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564    1.1336   -1.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464    1.9601   -1.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    2.2002   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    1.0098    0.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337    1.1331    0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6162    0.9666    0.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4443   -0.1039    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595    0.0917    1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9006   -0.9488    2.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4585   -0.1014   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8004   -1.3678   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2668   -1.6460   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8902   -0.7382   -1.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -2.3337   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922   -3.3900   -0.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -1.4324    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -1.9239    1.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    2.4631    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.4766    2.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731    3.6221    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    4.1901    0.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    3.1361   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5838    4.2540   -1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903    0.9577    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -0.7920   -1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -2.8377   -2.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6893   -4.4067   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212   -3.9373    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6823   -0.8404    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963   -0.2337    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    2.9220   -2.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600    1.4905   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    2.7468    0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636    0.3558    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6747    1.0329    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3056    0.2288    2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8270   -0.6622    2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960   -1.4921   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4928   -2.6517   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7136   -1.6139    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4047   -0.0553   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   -2.7881    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954   -3.9708   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0461   -1.5162   -0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641   -2.7246    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3876    2.5618    2.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    2.2204    3.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175    4.3709    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969    4.9411   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    2.6723   -1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364    4.7150   -0.8832 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  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 12  5  1  0
 34 15  1  0
 28 19  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 17 46  1  0
 20 47  1  0
 20 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 24 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
 29 57  1  0
 30 58  1  0
 31 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 35 63  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.875  21.366   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.321  18.757   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.400  22.830   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.291  17.612   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.339  20.541   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.397   3.560   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.212  13.539   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.042   8.320   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.845  20.221   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.893  23.150   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.863  22.006   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.302   4.806   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.181  12.394   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.766  16.148   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.675  12.714   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.842   4.806   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.645  11.570   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.120  10.105   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.318   6.271   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.627   9.785   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.072   7.176   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.023   2.153   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.535   8.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.417  24.615   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       2.356  22.326   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       7.273  15.827   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.199  14.179   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       4.747   3.560   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.138  11.890   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.090   8.961   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.783   6.747   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.736  15.003   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.657  10.929   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.826   6.271   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.103   8.320   0.000  0.00  0.00           O+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   14                                                       
CONECT    5    9   11                                                       
CONECT    6   12   22                                                       
CONECT    7   13   32                                                       
CONECT    8   21   23                                                       
CONECT    9    1    2    5                                                  
CONECT   10    3   11   24                                                  
CONECT   11    5   10   25                                                  
CONECT   12    6   16   34                                                  
CONECT   13    7   15   33                                                  
CONECT   14    4   26   32                                                  
CONECT   15   13   17   27                                                  
CONECT   16   12   19   28                                                  
CONECT   17   15   18   29                                                  
CONECT   18   17   20   30                                                  
CONECT   19   16   21   31                                                  
CONECT   20   18   33   35                                                  
CONECT   21    8   19   34   35                                             
CONECT   22    6                                                            
CONECT   23    8                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32    7   14                                                       
CONECT   33   13   20                                                       
CONECT   34   12   21                                                       
CONECT   35   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

COMPND    HMDB0035486
HETATM    1  O1  UNL     1       2.970   2.579   0.058  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.044   1.501  -0.562  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.221   0.651  -0.320  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.387  -0.501  -0.925  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.518  -1.401  -0.744  1.00  0.00           C  
HETATM    6  C5  UNL     1       5.591  -2.594  -1.435  1.00  0.00           C  
HETATM    7  C6  UNL     1       6.642  -3.473  -1.293  1.00  0.00           C  
HETATM    8  C7  UNL     1       7.684  -3.190  -0.438  1.00  0.00           C  
HETATM    9  O2  UNL     1       8.736  -4.087  -0.307  1.00  0.00           O  
HETATM   10  C8  UNL     1       7.634  -2.004   0.263  1.00  0.00           C  
HETATM   11  O3  UNL     1       8.686  -1.701   1.137  1.00  0.00           O  
HETATM   12  C9  UNL     1       6.561  -1.124   0.108  1.00  0.00           C  
HETATM   13  O4  UNL     1       2.056   1.134  -1.435  1.00  0.00           O  
HETATM   14  C10 UNL     1       0.946   1.960  -1.643  1.00  0.00           C  
HETATM   15  C11 UNL     1       0.108   2.200  -0.424  1.00  0.00           C  
HETATM   16  O5  UNL     1      -0.385   1.010   0.080  1.00  0.00           O  
HETATM   17  C12 UNL     1      -1.534   1.133   0.834  1.00  0.00           C  
HETATM   18  O6  UNL     1      -2.616   0.967   0.023  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.444  -0.104   0.316  1.00  0.00           C  
HETATM   20  C14 UNL     1      -4.059   0.092   1.683  1.00  0.00           C  
HETATM   21  O7  UNL     1      -4.901  -0.949   2.035  1.00  0.00           O  
HETATM   22  O8  UNL     1      -4.458  -0.101  -0.601  1.00  0.00           O  
HETATM   23  C15 UNL     1      -4.800  -1.368  -0.970  1.00  0.00           C  
HETATM   24  C16 UNL     1      -6.267  -1.646  -0.914  1.00  0.00           C  
HETATM   25  O9  UNL     1      -6.890  -0.738  -1.797  1.00  0.00           O  
HETATM   26  C17 UNL     1      -3.956  -2.334  -0.189  1.00  0.00           C  
HETATM   27  O10 UNL     1      -3.492  -3.390  -0.992  1.00  0.00           O  
HETATM   28  C18 UNL     1      -2.800  -1.432   0.211  1.00  0.00           C  
HETATM   29  O11 UNL     1      -2.311  -1.924   1.418  1.00  0.00           O  
HETATM   30  C19 UNL     1      -1.516   2.463   1.555  1.00  0.00           C  
HETATM   31  O12 UNL     1      -0.383   2.477   2.369  1.00  0.00           O  
HETATM   32  C20 UNL     1      -1.573   3.622   0.605  1.00  0.00           C  
HETATM   33  O13 UNL     1      -2.840   4.190   0.509  1.00  0.00           O  
HETATM   34  C21 UNL     1      -1.062   3.136  -0.735  1.00  0.00           C  
HETATM   35  O14 UNL     1      -0.584   4.254  -1.415  1.00  0.00           O  
HETATM   36  H1  UNL     1       4.990   0.958   0.373  1.00  0.00           H  
HETATM   37  H2  UNL     1       3.602  -0.792  -1.619  1.00  0.00           H  
HETATM   38  H3  UNL     1       4.775  -2.838  -2.118  1.00  0.00           H  
HETATM   39  H4  UNL     1       6.689  -4.407  -1.840  1.00  0.00           H  
HETATM   40  H5  UNL     1       9.521  -3.937   0.298  1.00  0.00           H  
HETATM   41  H6  UNL     1       8.682  -0.840   1.667  1.00  0.00           H  
HETATM   42  H7  UNL     1       6.596  -0.234   0.682  1.00  0.00           H  
HETATM   43  H8  UNL     1       1.349   2.922  -2.067  1.00  0.00           H  
HETATM   44  H9  UNL     1       0.360   1.490  -2.474  1.00  0.00           H  
HETATM   45  H10 UNL     1       0.710   2.747   0.321  1.00  0.00           H  
HETATM   46  H11 UNL     1      -1.464   0.356   1.642  1.00  0.00           H  
HETATM   47  H12 UNL     1      -4.675   1.033   1.707  1.00  0.00           H  
HETATM   48  H13 UNL     1      -3.306   0.229   2.484  1.00  0.00           H  
HETATM   49  H14 UNL     1      -5.827  -0.662   2.098  1.00  0.00           H  
HETATM   50  H15 UNL     1      -4.496  -1.492  -2.050  1.00  0.00           H  
HETATM   51  H16 UNL     1      -6.493  -2.652  -1.335  1.00  0.00           H  
HETATM   52  H17 UNL     1      -6.714  -1.614   0.081  1.00  0.00           H  
HETATM   53  H18 UNL     1      -7.405  -0.055  -1.313  1.00  0.00           H  
HETATM   54  H19 UNL     1      -4.448  -2.788   0.670  1.00  0.00           H  
HETATM   55  H20 UNL     1      -4.295  -3.971  -1.144  1.00  0.00           H  
HETATM   56  H21 UNL     1      -2.046  -1.516  -0.595  1.00  0.00           H  
HETATM   57  H22 UNL     1      -2.764  -2.725   1.733  1.00  0.00           H  
HETATM   58  H23 UNL     1      -2.388   2.562   2.243  1.00  0.00           H  
HETATM   59  H24 UNL     1      -0.569   2.220   3.298  1.00  0.00           H  
HETATM   60  H25 UNL     1      -0.818   4.371   0.965  1.00  0.00           H  
HETATM   61  H26 UNL     1      -2.797   4.941  -0.108  1.00  0.00           H  
HETATM   62  H27 UNL     1      -1.822   2.672  -1.361  1.00  0.00           H  
HETATM   63  H28 UNL     1       0.136   4.715  -0.883  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   36
CONECT    4    5   37
CONECT    5    6    6   12
CONECT    6    7   38
CONECT    7    8    8   39
CONECT    8    9   10
CONECT    9   40
CONECT   10   11   12   12
CONECT   11   41
CONECT   12   42
CONECT   13   14
CONECT   14   15   43   44
CONECT   15   16   34   45
CONECT   16   17
CONECT   17   18   30   46
CONECT   18   19
CONECT   19   20   22   28
CONECT   20   21   47   48
CONECT   21   49
CONECT   22   23
CONECT   23   24   26   50
CONECT   24   25   51   52
CONECT   25   53
CONECT   26   27   28   54
CONECT   27   55
CONECT   28   29   56
CONECT   29   57
CONECT   30   31   32   58
CONECT   31   59
CONECT   32   33   34   60
CONECT   33   61
CONECT   34   35   62
CONECT   35   63
END

HMDB0035486
     RDKit          3D
6-Caffeoylsucrose
 63 65  0  0  0  0  0  0  0  0999 V2000
    2.9702    2.5791    0.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439    1.5009   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    0.6508   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3871   -0.5012   -0.9254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5179   -1.4009   -0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912   -2.5938   -1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419   -3.4731   -1.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842   -3.1898   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7360   -4.0872   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6345   -2.0042    0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -1.7012    1.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5612   -1.1238    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564    1.1336   -1.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464    1.9601   -1.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1079    2.2002   -0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3848    1.0098    0.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5337    1.1331    0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6162    0.9666    0.0233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4443   -0.1039    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0595    0.0917    1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9006   -0.9488    2.0354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4585   -0.1014   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8004   -1.3678   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2668   -1.6460   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8902   -0.7382   -1.7968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -2.3337   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922   -3.3900   -0.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -1.4324    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -1.9239    1.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5157    2.4631    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    2.4766    2.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5731    3.6221    0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8405    4.1901    0.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621    3.1361   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5838    4.2540   -1.4153 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9903    0.9577    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -0.7920   -1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -2.8377   -2.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6893   -4.4067   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5212   -3.9373    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6823   -0.8404    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963   -0.2337    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3489    2.9220   -2.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600    1.4905   -2.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    2.7468    0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636    0.3558    1.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6747    1.0329    1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3056    0.2288    2.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8270   -0.6622    2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960   -1.4921   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4928   -2.6517   -1.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7136   -1.6139    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4047   -0.0553   -1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   -2.7881    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954   -3.9708   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0461   -1.5162   -0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7641   -2.7246    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3876    2.5618    2.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    2.2204    3.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8175    4.3709    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7969    4.9411   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8219    2.6723   -1.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364    4.7150   -0.8832 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  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 12  5  1  0
 34 15  1  0
 28 19  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 14 43  1  0
 14 44  1  0
 15 45  1  0
 17 46  1  0
 20 47  1  0
 20 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 24 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
 29 57  1  0
 30 58  1  0
 31 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 35 63  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid	HMDB

Chemical Formula

C₂₁H₂₈O₁₄

Average Molecular Weight

504.4386

Monoisotopic Molecular Weight

504.147905604

IUPAC Name

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Traditional Name

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+

InChI Key

UZUDNVXQOKQTDO-DUXPYHPUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Dialkyl ether
Acetal
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0035486)
Cytoplasm (HMDB: HMDB0035486)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035486)

Source

Exogenous

Exogenous (HMDB: HMDB0035486)

Food

Food (HMDB: HMDB0035486)

Tea

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0035486)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0035486)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	210 - 212 °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	9.42 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-2.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	9.21	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	236.06 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	112.3 m³·mol⁻¹	ChemAxon
Polarizability	47.85 Å³	ChemAxon
Number of Rings	3	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]+	218.515	30932474
DeepCCS	[M-H]-	216.119	30932474
DeepCCS	[M-2H]-	249.001	30932474
DeepCCS	[M+Na]+	224.681	30932474
AllCCS	[M+H]+	211.6	32859911
AllCCS	[M+H-H2O]+	209.9	32859911
AllCCS	[M+NH4]+	213.1	32859911
AllCCS	[M+Na]+	213.6	32859911
AllCCS	[M-H]-	206.6	32859911
AllCCS	[M+Na-2H]-	207.7	32859911
AllCCS	[M+HCOO]-	209.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6-Caffeoylsucrose	OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	5098.6	Standard polar	33892256
6-Caffeoylsucrose	OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	4404.6	Standard non polar	33892256
6-Caffeoylsucrose	OCC1OC(CO)(OC2OC(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C(O)C1O	4436.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-Caffeoylsucrose,1TMS,isomer #1	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4495.6	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #2	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4502.6	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #3	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC=C1O	4458.7	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C=C1O	4455.0	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #5	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O	4477.9	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C1O	4473.0	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4485.2	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC1(CO)OC1OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	4506.1	Semi standard non polar	33892256
6-Caffeoylsucrose,1TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C1O	4477.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #1	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4443.0	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #10	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4412.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #11	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4440.5	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #12	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4430.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #13	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4452.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #14	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4429.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #15	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4443.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #16	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)=CC=C1O	4391.8	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #17	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	4403.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #18	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4403.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #19	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4371.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #2	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4396.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #20	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4390.5	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C	4422.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C1O	4386.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	4400.0	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	4395.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	4362.2	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	4382.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #27	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	4416.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #28	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	4425.8	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #29	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	4419.0	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #3	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4402.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #30	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	4425.3	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #31	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)C1O	4407.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #32	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)C1O	4415.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #33	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	4422.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #34	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4428.8	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #35	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4438.3	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C1O[Si](C)(C)C	4441.8	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #4	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4433.3	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #5	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4423.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #6	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4448.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #7	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4441.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #8	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4430.8	Semi standard non polar	33892256
6-Caffeoylsucrose,2TMS,isomer #9	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4402.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #1	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4274.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #10	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4278.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #11	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4311.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #12	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4305.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #13	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4295.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #14	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4314.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #15	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4287.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #16	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4322.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #17	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4318.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #18	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4308.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #19	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4340.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #2	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4287.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #20	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4329.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #21	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4341.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #22	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	4332.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #23	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4329.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #24	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4333.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #25	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4328.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #26	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4350.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #27	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4340.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #28	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4323.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #29	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4360.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #3	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4318.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #30	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4292.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #31	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4267.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #32	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4301.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #33	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4278.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #34	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4284.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #35	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4309.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #36	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4280.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #37	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4315.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #38	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4293.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #39	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4297.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #4	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4308.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #40	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4338.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #41	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4323.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #42	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4319.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #43	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4328.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #44	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4320.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #45	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4316.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #46	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4318.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #47	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4328.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #48	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4340.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #49	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4306.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #5	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4324.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #50	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O	4318.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #51	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4332.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #52	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4294.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #53	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4323.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C	4374.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #55	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4336.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #56	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4296.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #57	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4328.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O[Si](C)(C)C	4382.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #59	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4294.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #6	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4307.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #60	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4300.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #61	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	4391.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #62	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4297.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4350.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #64	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4379.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O	4304.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O	4319.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O	4288.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O	4310.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	4324.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #7	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4294.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	4289.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	4314.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4284.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4291.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4290.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #75	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4327.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #76	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4320.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #77	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4332.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #78	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4330.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #79	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4342.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #8	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4364.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #80	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4320.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #81	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	4325.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #82	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	4317.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #83	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	4327.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #84	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4337.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TMS,isomer #9	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4302.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #1	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4217.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #10	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4154.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4216.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4233.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #102	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4166.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #103	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4174.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #104	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	4264.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #105	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4182.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #106	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4227.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #107	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4247.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #108	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4171.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #109	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4238.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #11	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4134.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #110	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4242.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #111	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4245.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O	4187.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O	4154.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O	4176.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4153.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4161.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4168.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4165.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4174.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #12	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O	4234.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #120	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4182.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #121	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4169.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #122	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4215.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #123	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4243.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #124	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4219.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #125	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4230.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #126	C[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	4213.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #13	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O	4221.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #14	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4223.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #15	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	4201.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #16	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O	4207.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #17	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4193.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #18	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4171.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #19	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4209.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #2	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4154.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #20	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4186.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #21	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4190.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #22	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4230.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #23	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4211.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #24	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4246.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #25	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4244.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #26	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4229.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #27	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4163.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #28	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4162.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #29	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4176.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #3	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4119.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #30	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	4160.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #31	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4148.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #32	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4153.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #33	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4138.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #34	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4185.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #35	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4170.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #36	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4166.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #37	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4169.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #38	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4167.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #39	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4180.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #4	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4158.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #40	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	4164.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #41	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4155.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #42	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4154.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #43	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4140.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #44	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4190.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #45	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4176.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #46	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4174.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #47	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4234.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #48	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O	4249.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #49	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C	4233.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #5	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4146.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #50	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O	4230.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #51	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C	4216.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #52	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4226.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #53	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O	4223.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #54	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C	4210.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #55	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4208.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #56	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4216.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #57	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4228.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #58	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4207.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #59	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4243.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #6	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4127.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #60	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4217.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #61	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4231.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #62	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4160.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #63	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4157.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #64	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4150.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #65	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4163.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #66	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4144.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #67	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4126.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #68	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4134.5	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #69	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4156.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #7	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4160.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #70	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4171.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #71	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4146.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #72	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4167.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #73	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4163.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #74	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4156.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #75	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4169.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #76	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4152.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #77	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4129.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #78	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4139.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #79	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4164.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #8	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4128.7	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #80	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4180.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #81	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4156.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #82	C[Si](C)(C)OCC1(OC2OC(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)OC(CO)C(O)C1O	4228.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #83	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4227.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #84	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4242.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #85	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4205.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #86	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4222.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #87	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4212.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #88	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4198.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #89	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4214.1	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #9	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4164.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #90	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4191.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #91	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4201.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #92	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4191.4	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #93	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4151.6	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #94	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4176.9	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #95	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C1O[Si](C)(C)C	4249.0	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #96	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4155.3	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #97	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4161.8	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	4253.2	Semi standard non polar	33892256
6-Caffeoylsucrose,4TMS,isomer #99	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4169.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #1	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	4114.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #10	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4005.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #100	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4030.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #101	C[Si](C)(C)OCC1(OC2OC(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)OC(CO)C(O[Si](C)(C)C)C1O	4119.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #102	C[Si](C)(C)OCC1(OC2OC(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)OC(CO)C(O)C1O[Si](C)(C)C	4145.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #103	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4115.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #104	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4095.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #105	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4089.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #106	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4022.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #107	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4031.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #108	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	4134.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #109	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4047.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #11	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3984.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #110	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4105.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #111	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4128.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #112	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4045.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #113	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4104.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #114	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4112.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #115	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4121.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #116	C[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4057.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #117	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4122.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #118	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4129.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #119	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4136.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #12	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3966.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #120	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4145.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #121	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4017.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #122	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4028.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #123	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4044.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #124	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4039.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #125	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4054.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #126	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4132.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #13	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4021.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #14	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3998.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #15	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4018.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #16	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4038.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #17	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4037.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #18	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4029.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #19	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	4007.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #2	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4084.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #20	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4016.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #21	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3992.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #22	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3974.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #23	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4030.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #24	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4008.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #25	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4031.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #26	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O	4133.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #27	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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[Si](C)(C)C)C1O	4112.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #28	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O[Si](C)(C)C	4087.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #29	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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[Si](C)(C)C)C1O	4100.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #3	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4116.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #30	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O[Si](C)(C)C	4077.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #31	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4102.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #32	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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[Si](C)(C)C)C1O	4090.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #33	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(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)C1O[Si](C)(C)C	4065.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #34	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4063.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #35	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4090.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #36	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4130.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #37	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4130.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #38	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4133.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #39	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	4110.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #4	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	4113.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #40	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4118.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #41	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4103.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #42	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4083.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #43	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4137.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #44	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4118.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #45	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4130.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #46	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4047.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #47	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4040.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #48	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4023.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #49	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4035.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #5	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	4090.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #50	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4016.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #51	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4037.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #52	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4017.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #53	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4001.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #54	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4004.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #55	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4034.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #56	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4056.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #57	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4043.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #58	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4029.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #59	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4037.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #6	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	4026.5	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #60	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4021.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #61	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4041.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #62	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4022.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #63	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4009.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #64	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4007.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #65	C[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4040.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #66	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O	4144.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #67	C[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C	4133.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #68	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O[Si](C)(C)C	4128.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #69	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O[Si](C)(C)C	4103.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #7	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	4027.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #70	C[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C)C1O[Si](C)(C)C	4098.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #71	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	4128.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #72	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4124.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #73	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4104.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #74	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4123.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #75	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4114.1	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #76	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4077.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #77	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4096.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #78	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4107.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #79	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4128.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #8	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	4019.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #80	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4117.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #81	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4046.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #82	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4016.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #83	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4031.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #84	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4010.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #85	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4027.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #86	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4025.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #87	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	3994.2	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #88	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4010.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #89	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3988.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #9	C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	3998.4	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #90	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4023.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #91	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	4055.8	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #92	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O	4021.3	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #93	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C	4036.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #94	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4013.9	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #95	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4032.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #96	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4031.0	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #97	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O[Si](C)(C)C)C1O	4000.7	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #98	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	4016.6	Semi standard non polar	33892256
6-Caffeoylsucrose,5TMS,isomer #99	C[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3991.7	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4713.7	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4722.7	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC=C1O	4705.0	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C=C1O	4704.4	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O	4714.8	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C1O	4726.9	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4725.7	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1(CO)OC1OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C(O)C1O	4745.6	Semi standard non polar	33892256
6-Caffeoylsucrose,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C1O	4722.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4802.2	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4812.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4818.0	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	4819.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	4835.2	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4821.5	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4825.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)=CC=C1O	4820.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	4830.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4822.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4825.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4806.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4811.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4845.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C1O	4823.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1O	4834.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4820.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4826.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4811.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	4829.3	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4834.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4823.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4804.3	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4836.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	4832.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	4837.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4825.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4844.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4851.6	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	4859.7	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4811.0	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4817.1	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O	4829.2	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4833.9	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4821.4	Semi standard non polar	33892256
6-Caffeoylsucrose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4813.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O	4879.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	4924.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4899.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4910.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4897.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	4887.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	4910.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4892.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4902.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4889.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	4900.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4872.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4894.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C(C)(C)C)C1O	4901.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C(C)(C)C	4891.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4899.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C(C)(C)C)C1O	4902.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C(C)(C)C	4890.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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[Si](C)(C)C(C)(C)C)C1O	4916.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(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)C1O[Si](C)(C)C(C)(C)C	4905.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4910.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O	4930.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(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)C1O	4871.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4889.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	4909.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	4894.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4885.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4892.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C(O)C1O	4882.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	4901.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	4889.9	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4880.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4887.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(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)C1O	4872.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	4904.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	4895.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4885.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4892.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	4898.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4886.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4891.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4899.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4907.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4896.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(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)C1O	4887.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O	4912.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4904.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4926.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4900.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4936.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4919.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4934.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4913.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4952.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4914.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4878.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4901.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4946.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4928.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	4949.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4936.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C1O	4921.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4914.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4939.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4910.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4928.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(CO[Si](C)(C)C(C)(C)C)(OC2OC(COC(=O)/C=C/C3=CC=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4864.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4947.5	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4923.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4925.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4913.7	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	4939.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4920.8	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	4908.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	4925.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #78	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4915.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #79	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4932.1	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C(O)C1O	4929.4	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #80	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4928.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #81	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)OC(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	4923.6	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #82	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4914.0	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #83	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4922.2	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #84	CC(C)(C)[Si](C)(C)OC1C(OC2(CO)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C(O)C1O	4934.3	Semi standard non polar	33892256
6-Caffeoylsucrose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(CO)(OC2OC(COC(=O)/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	4896.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Caffeoylsucrose GC-MS (Non-derivatized) - 70eV, Positive	splash10-022i-9411800000-93c46c659beecd98eb10	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Caffeoylsucrose GC-MS (2 TMS) - 70eV, Positive	splash10-001i-2901014000-2f5a8dfc167f29b1d7ad	2017-10-06	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-Caffeoylsucrose 10V, Positive-QTOF	splash10-01q9-0900000000-e60ebef3109b35d14fb7	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 20V, Positive-QTOF	splash10-03di-0903000000-59adec5a3e88dd10306e	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 40V, Positive-QTOF	splash10-03du-9600000000-887611025ffde1eb3fc9	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 10V, Negative-QTOF	splash10-03fr-2900000000-cfacc69b45bbca909dca	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 20V, Negative-QTOF	splash10-01t9-0900000000-82804ba8fcbd3f6aa465	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 40V, Negative-QTOF	splash10-01r5-5900000000-02b6e3f3fc4df9efcb0b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 10V, Positive-QTOF	splash10-06r2-0900230000-4e9deb94974169612292	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 20V, Positive-QTOF	splash10-01sm-2901000000-cd33e9cee3fa2822d8e7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 40V, Positive-QTOF	splash10-0002-4900000000-b0aa130c518bcd866755	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 10V, Negative-QTOF	splash10-0ufr-0903250000-ffe198cbc0a2604182a7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 20V, Negative-QTOF	splash10-0007-2903610000-4902622bdd1e5aac7ed3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Caffeoylsucrose 40V, Negative-QTOF	splash10-003i-3900000000-1d2c319213a7220ba555	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB014172

KNApSAcK ID

C00054475

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751779

PDB ID

Not Available

ChEBI ID

168078

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-Caffeoylsucrose (HMDB0035486)

MOL for HMDB0035486 (6-Caffeoylsucrose)

3D MOL for HMDB0035486 (6-Caffeoylsucrose)

3D SDF for HMDB0035486 (6-Caffeoylsucrose)

3D-SDF for HMDB0035486 (6-Caffeoylsucrose)

PDB for HMDB0035486 (6-Caffeoylsucrose)

3D PDB for HMDB0035486 (6-Caffeoylsucrose)

SMILES for HMDB0035486 (6-Caffeoylsucrose)

INCHI for HMDB0035486 (6-Caffeoylsucrose)

Structure for HMDB0035486 (6-Caffeoylsucrose)

3D Structure for HMDB0035486 (6-Caffeoylsucrose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra