Hmdb loader

Showing metabocard for Salviaflaside methyl ester (HMDB0033706)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:27:44 UTC
Update Date2022-03-07 02:53:49 UTC
HMDB IDHMDB0033706
Secondary Accession Numbers
  • HMDB33706
Metabolite Identification
Common NameSalviaflaside methyl ester
DescriptionSalviaflaside methyl ester belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Salviaflaside methyl ester has been detected, but not quantified in, herbs and spices. This could make salviaflaside methyl ester a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Salviaflaside methyl ester.
Structure
Data?1563862447
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0033706 (Salviaflaside methyl ester)


  Mrv0541 05061307182D          

 38 40  0  0  0  0            999 V2000
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0033706 (Salviaflaside methyl ester)

HMDB0033706
     RDKit          3D
Salviaflaside methyl ester
 66 68  0  0  0  0  0  0  0  0999 V2000
    4.3669   -2.3030   -3.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4637    1.1789   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0033706 (Salviaflaside methyl ester)


  Mrv0541 05061307182D          

 38 40  0  0  0  0            999 V2000
   -3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 24  2  0  0  0  0
 35  1  1  0  0  0  0
 35 24  1  0  0  0  0
 36 18  1  0  0  0  0
 36 20  1  0  0  0  0
 37 17  1  0  0  0  0
 37 25  1  0  0  0  0
 38 19  1  0  0  0  0
 38 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033706

> <DATABASE_NAME>
hmdb

> <SMILES>
COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C25H28O13/c1-35-24(34)18(10-13-3-5-14(27)16(29)8-13)36-20(30)7-4-12-2-6-15(28)17(9-12)37-25-23(33)22(32)21(31)19(11-26)38-25/h2-9,18-19,21-23,25-29,31-33H,10-11H2,1H3/b7-4-

> <INCHI_KEY>
FTNAQWBISUHBPD-DAXSKMNVSA-N

> <FORMULA>
C25H28O13

> <MOLECULAR_WEIGHT>
536.482

> <EXACT_MASS>
536.152990982

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
50.21409266931642

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate

> <ALOGPS_LOGP>
1.05

> <JCHEM_LOGP>
0.8819522436666676

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.848814613047047

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.145598588001265

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092354911903

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999996

> <JCHEM_REFRACTIVITY>
127.86359999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0033706 (Salviaflaside methyl ester)

HMDB0033706
     RDKit          3D
Salviaflaside methyl ester
 66 68  0  0  0  0  0  0  0  0999 V2000
    4.3669   -2.3030   -3.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9468   -1.1602   -2.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708   -0.6789   -1.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027   -1.3270   -1.4512 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    0.5226   -1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2271    1.6358   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4637    1.1789   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5412    0.6693   -0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6923    0.2352   -0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7835    0.3042    1.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9485   -0.1403    1.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7117    0.8131    1.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8228    0.8755    3.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5761    1.2413    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    0.9956   -1.5421 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7670    0.9756   -0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    0.5119    0.3470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    1.4814   -1.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5679    1.6016   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675    1.2867    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2817    1.3715    1.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8152    0.8869    2.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0547    0.3080    2.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5436   -0.1579    4.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7852    0.2109    1.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0181   -0.3609    1.7146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9470   -0.5874    0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1634    0.1005    0.9558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8417    0.1527   -0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9902    1.1324   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4734    2.3925    0.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3434   -1.2121   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3823   -1.6639    0.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1615   -2.1700   -0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6382   -3.4884   -0.7851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3426   -2.0438    0.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2386   -2.8672    0.4591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653    0.6820    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815   -1.9206   -4.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2064   -2.8144   -3.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997   -2.9874   -3.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.1793    0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4919    1.9325   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7466    2.4809   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4718    0.6235   -2.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5195   -0.1611   -0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0995   -0.1251    2.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0345    1.2492    3.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7176    1.6478    1.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    1.8074   -2.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852    2.0215   -1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6682    1.8994    1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2107    0.9819    3.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0712   -0.1166    4.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6394   -0.2598   -0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1499    0.4961   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7034    0.8661    0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5621    1.1833   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0560    2.7368   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6788   -1.1143   -1.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2694   -1.3698   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5369   -1.8958   -1.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9598   -4.0589   -0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0260   -2.3563    1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9693   -2.9344   -0.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424    0.6034   -0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  2  0
  5 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 25 38  2  0
 14  7  1  0
 38 20  1  0
 36 27  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  8 45  1  0
  9 46  1  0
 11 47  1  0
 13 48  1  0
 14 49  1  0
 18 50  1  0
 19 51  1  0
 21 52  1  0
 22 53  1  0
 24 54  1  0
 27 55  1  0
 29 56  1  0
 30 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
 36 64  1  0
 37 65  1  0
 38 66  1  0
M  END
Download

PDB for HMDB0033706 (Salviaflaside methyl ester)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -6.668   5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335   3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  12.320   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001  10.010   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  12.320   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.002  -1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.335   7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -10.669  -1.540   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.668   0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334  14.630   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.001   5.390   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -9.336  -3.850   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -6.668   8.470   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -2.667   7.700   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
CONECT    1   35                                                            
CONECT    2    6   12                                                       
CONECT    3    5   13                                                       
CONECT    4    7   12                                                       
CONECT    5    3   14                                                       
CONECT    6    2   15                                                       
CONECT    7    4   20                                                       
CONECT    8   13   16                                                       
CONECT    9   12   17                                                       
CONECT   10   13   18                                                       
CONECT   11   19   26                                                       
CONECT   12    2    4    9                                                  
CONECT   13    3    8   10                                                  
CONECT   14    5   16   27                                                  
CONECT   15    6   17   28                                                  
CONECT   16    8   14   29                                                  
CONECT   17    9   15   37                                                  
CONECT   18   10   24   36                                                  
CONECT   19   11   21   38                                                  
CONECT   20    7   30   36                                                  
CONECT   21   19   22   31                                                  
CONECT   22   21   23   32                                                  
CONECT   23   22   25   33                                                  
CONECT   24   18   34   35                                                  
CONECT   25   23   37   38                                                  
CONECT   26   11                                                            
CONECT   27   14                                                            
CONECT   28   15                                                            
CONECT   29   16                                                            
CONECT   30   20                                                            
CONECT   31   21                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35    1   24                                                       
CONECT   36   18   20                                                       
CONECT   37   17   25                                                       
CONECT   38   19   25                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END
Download

3D PDB for HMDB0033706 (Salviaflaside methyl ester)

COMPND    HMDB0033706
HETATM    1  C1  UNL     1       4.367  -2.303  -3.568  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.947  -1.160  -2.844  1.00  0.00           O  
HETATM    3  C2  UNL     1       4.671  -0.679  -1.742  1.00  0.00           C  
HETATM    4  O2  UNL     1       5.703  -1.327  -1.451  1.00  0.00           O  
HETATM    5  C3  UNL     1       4.199   0.523  -1.006  1.00  0.00           C  
HETATM    6  C4  UNL     1       5.227   1.636  -0.959  1.00  0.00           C  
HETATM    7  C5  UNL     1       6.464   1.179  -0.295  1.00  0.00           C  
HETATM    8  C6  UNL     1       7.541   0.669  -0.983  1.00  0.00           C  
HETATM    9  C7  UNL     1       8.692   0.235  -0.315  1.00  0.00           C  
HETATM   10  C8  UNL     1       8.783   0.304   1.047  1.00  0.00           C  
HETATM   11  O3  UNL     1       9.949  -0.140   1.658  1.00  0.00           O  
HETATM   12  C9  UNL     1       7.712   0.813   1.750  1.00  0.00           C  
HETATM   13  O4  UNL     1       7.823   0.875   3.131  1.00  0.00           O  
HETATM   14  C10 UNL     1       6.576   1.241   1.094  1.00  0.00           C  
HETATM   15  O5  UNL     1       2.974   0.996  -1.542  1.00  0.00           O  
HETATM   16  C11 UNL     1       1.767   0.976  -0.781  1.00  0.00           C  
HETATM   17  O6  UNL     1       1.939   0.512   0.347  1.00  0.00           O  
HETATM   18  C12 UNL     1       0.598   1.481  -1.433  1.00  0.00           C  
HETATM   19  C13 UNL     1      -0.568   1.602  -0.907  1.00  0.00           C  
HETATM   20  C14 UNL     1      -0.967   1.287   0.431  1.00  0.00           C  
HETATM   21  C15 UNL     1      -0.282   1.372   1.590  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.815   0.887   2.784  1.00  0.00           C  
HETATM   23  C17 UNL     1      -2.055   0.308   2.843  1.00  0.00           C  
HETATM   24  O7  UNL     1      -2.544  -0.158   4.045  1.00  0.00           O  
HETATM   25  C18 UNL     1      -2.785   0.211   1.665  1.00  0.00           C  
HETATM   26  O8  UNL     1      -4.018  -0.361   1.715  1.00  0.00           O  
HETATM   27  C19 UNL     1      -4.947  -0.587   0.719  1.00  0.00           C  
HETATM   28  O9  UNL     1      -6.163   0.100   0.956  1.00  0.00           O  
HETATM   29  C20 UNL     1      -6.842   0.153  -0.238  1.00  0.00           C  
HETATM   30  C21 UNL     1      -7.990   1.132  -0.148  1.00  0.00           C  
HETATM   31  O10 UNL     1      -7.473   2.393   0.150  1.00  0.00           O  
HETATM   32  C22 UNL     1      -7.343  -1.212  -0.678  1.00  0.00           C  
HETATM   33  O11 UNL     1      -8.382  -1.664   0.116  1.00  0.00           O  
HETATM   34  C23 UNL     1      -6.162  -2.170  -0.689  1.00  0.00           C  
HETATM   35  O12 UNL     1      -6.638  -3.488  -0.785  1.00  0.00           O  
HETATM   36  C24 UNL     1      -5.343  -2.044   0.580  1.00  0.00           C  
HETATM   37  O13 UNL     1      -4.239  -2.867   0.459  1.00  0.00           O  
HETATM   38  C25 UNL     1      -2.265   0.682   0.496  1.00  0.00           C  
HETATM   39  H1  UNL     1       4.782  -1.921  -4.533  1.00  0.00           H  
HETATM   40  H2  UNL     1       5.206  -2.814  -3.028  1.00  0.00           H  
HETATM   41  H3  UNL     1       3.500  -2.987  -3.727  1.00  0.00           H  
HETATM   42  H4  UNL     1       3.993   0.179   0.025  1.00  0.00           H  
HETATM   43  H5  UNL     1       5.492   1.933  -2.007  1.00  0.00           H  
HETATM   44  H6  UNL     1       4.747   2.481  -0.428  1.00  0.00           H  
HETATM   45  H7  UNL     1       7.472   0.624  -2.060  1.00  0.00           H  
HETATM   46  H8  UNL     1       9.520  -0.161  -0.910  1.00  0.00           H  
HETATM   47  H9  UNL     1      10.100  -0.125   2.661  1.00  0.00           H  
HETATM   48  H10 UNL     1       7.034   1.249   3.642  1.00  0.00           H  
HETATM   49  H11 UNL     1       5.718   1.648   1.634  1.00  0.00           H  
HETATM   50  H12 UNL     1       0.720   1.807  -2.529  1.00  0.00           H  
HETATM   51  H13 UNL     1      -1.385   2.022  -1.592  1.00  0.00           H  
HETATM   52  H14 UNL     1       0.668   1.899   1.618  1.00  0.00           H  
HETATM   53  H15 UNL     1      -0.211   0.982   3.685  1.00  0.00           H  
HETATM   54  H16 UNL     1      -2.071  -0.117   4.915  1.00  0.00           H  
HETATM   55  H17 UNL     1      -4.639  -0.260  -0.292  1.00  0.00           H  
HETATM   56  H18 UNL     1      -6.150   0.496  -1.031  1.00  0.00           H  
HETATM   57  H19 UNL     1      -8.703   0.866   0.656  1.00  0.00           H  
HETATM   58  H20 UNL     1      -8.562   1.183  -1.092  1.00  0.00           H  
HETATM   59  H21 UNL     1      -7.056   2.737  -0.699  1.00  0.00           H  
HETATM   60  H22 UNL     1      -7.679  -1.114  -1.731  1.00  0.00           H  
HETATM   61  H23 UNL     1      -9.269  -1.370  -0.192  1.00  0.00           H  
HETATM   62  H24 UNL     1      -5.537  -1.896  -1.569  1.00  0.00           H  
HETATM   63  H25 UNL     1      -5.960  -4.059  -0.344  1.00  0.00           H  
HETATM   64  H26 UNL     1      -6.026  -2.356   1.416  1.00  0.00           H  
HETATM   65  H27 UNL     1      -3.969  -2.934  -0.492  1.00  0.00           H  
HETATM   66  H28 UNL     1      -2.842   0.603  -0.426  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3
CONECT    3    4    4    5
CONECT    5    6   15   42
CONECT    6    7   43   44
CONECT    7    8    8   14
CONECT    8    9   45
CONECT    9   10   10   46
CONECT   10   11   12
CONECT   11   47
CONECT   12   13   14   14
CONECT   13   48
CONECT   14   49
CONECT   15   16
CONECT   16   17   17   18
CONECT   18   19   19   50
CONECT   19   20   51
CONECT   20   21   21   38
CONECT   21   22   52
CONECT   22   23   23   53
CONECT   23   24   25
CONECT   24   54
CONECT   25   26   38   38
CONECT   26   27
CONECT   27   28   36   55
CONECT   28   29
CONECT   29   30   32   56
CONECT   30   31   57   58
CONECT   31   59
CONECT   32   33   34   60
CONECT   33   61
CONECT   34   35   36   62
CONECT   35   63
CONECT   36   37   64
CONECT   37   65
CONECT   38   66
END
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SMILES for HMDB0033706 (Salviaflaside methyl ester)

COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1
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INCHI for HMDB0033706 (Salviaflaside methyl ester)

InChI=1S/C25H28O13/c1-35-24(34)18(10-13-3-5-14(27)16(29)8-13)36-20(30)7-4-12-2-6-15(28)17(9-12)37-25-23(33)22(32)21(31)19(11-26)38-25/h2-9,18-19,21-23,25-29,31-33H,10-11H2,1H3/b7-4-
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View in JSmolView Stereo Labels
Synonyms
ValueSource
3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acidHMDB
Chemical FormulaC25H28O13
Average Molecular Weight536.482
Monoisotopic Molecular Weight536.152990982
IUPAC Name3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate
Traditional Name3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate
CAS Registry Number178860-70-3
SMILES
COC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C1
InChI Identifier
InChI=1S/C25H28O13/c1-35-24(34)18(10-13-3-5-14(27)16(29)8-13)36-20(30)7-4-12-2-6-15(28)17(9-12)37-25-23(33)22(32)21(31)19(11-26)38-25/h2-9,18-19,21-23,25-29,31-33H,10-11H2,1H3/b7-4-
InChI KeyFTNAQWBISUHBPD-DAXSKMNVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPhenolic glycosides
Alternative Parents
Substituents
  • Phenolic glycoside
  • Cinnamic acid or derivatives
  • Coumaric acid or derivatives
  • Hexose monosaccharide
  • Hydroxycinnamic acid or derivatives
  • Cinnamic acid ester
  • O-glycosyl compound
  • Phenoxy compound
  • Catechol
  • Phenol ether
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Fatty acid ester
  • Phenol
  • Monocyclic benzene moiety
  • Oxane
  • Fatty acyl
  • Monosaccharide
  • Benzenoid
  • Dicarboxylic acid or derivatives
  • Enoate ester
  • Alpha,beta-unsaturated carboxylic ester
  • Methyl ester
  • Secondary alcohol
  • Carboxylic acid ester
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Carboxylic acid derivative
  • Acetal
  • Primary alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility2186 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.53 g/LALOGPS
logP1.05ALOGPS
logP0.88ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)9.15ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area212.67 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity127.86 m³·mol⁻¹ChemAxon
Polarizability50.21 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+208.92130932474
DeepCCS[M-H]-206.52530932474
DeepCCS[M-2H]-239.40830932474
DeepCCS[M+Na]+214.83330932474
AllCCS[M+H]+221.032859911
AllCCS[M+H-H2O]+219.532859911
AllCCS[M+NH4]+222.432859911
AllCCS[M+Na]+222.832859911
AllCCS[M-H]-213.132859911
AllCCS[M+Na-2H]-214.632859911
AllCCS[M+HCOO]-216.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Salviaflaside methyl esterCOC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C16383.1Standard polar33892256
Salviaflaside methyl esterCOC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C14522.1Standard non polar33892256
Salviaflaside methyl esterCOC(=O)C(CC1=CC(O)=C(O)C=C1)OC(=O)\C=C/C1=CC(OC2OC(CO)C(O)C(O)C2O)=C(O)C=C14730.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Salviaflaside methyl ester,1TMS,isomer #1COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C14570.8Semi standard non polar33892256
Salviaflaside methyl ester,1TMS,isomer #2COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C14594.1Semi standard non polar33892256
Salviaflaside methyl ester,1TMS,isomer #3COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14638.1Semi standard non polar33892256
Salviaflaside methyl ester,1TMS,isomer #4COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14622.7Semi standard non polar33892256
Salviaflaside methyl ester,1TMS,isomer #5COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14601.8Semi standard non polar33892256
Salviaflaside methyl ester,1TMS,isomer #6COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14639.6Semi standard non polar33892256
Salviaflaside methyl ester,1TMS,isomer #7COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14687.9Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #1COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C14471.8Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #10COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14403.6Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #11COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14425.1Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #12COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14524.4Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #13COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14521.4Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #14COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14490.4Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #15COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14531.3Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #16COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14526.9Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #17COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14490.9Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #18COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14505.1Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #19COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14495.9Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #2COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14464.8Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #20COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14514.0Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #21COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14543.1Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #3COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14409.1Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #4COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14401.2Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #5COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14378.7Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #6COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14401.2Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #7COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14495.8Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #8COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14443.1Semi standard non polar33892256
Salviaflaside methyl ester,2TMS,isomer #9COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14424.9Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #1COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14414.5Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #10COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14323.5Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #11COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14296.8Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #12COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14319.0Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #13COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14292.9Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #14COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14306.7Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #15COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14303.8Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #16COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14353.6Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #17COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14363.3Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #18COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14336.9Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #19COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14357.2Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #2COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14353.1Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #20COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14344.1Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #21COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14321.1Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #22COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14342.9Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #23COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14322.1Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #24COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14330.8Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #25COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14333.0Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #26COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14434.6Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #27COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14385.7Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #28COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14451.2Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #29COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14417.4Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #3COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14356.1Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #30COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14469.5Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #31COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14432.3Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #32COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14406.8Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #33COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14433.0Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #34COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14418.1Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #35COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14426.3Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #4COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14338.8Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #5COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14350.2Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #6COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14327.2Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #7COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14338.9Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #8COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14308.0Semi standard non polar33892256
Salviaflaside methyl ester,3TMS,isomer #9COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14332.4Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #1COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C14322.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #10COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14294.5Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #11COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14287.7Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #12COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14256.1Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #13COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14296.1Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #14COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14246.0Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #15COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14269.0Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #16COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14250.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #17COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14267.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #18COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14294.3Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #19COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14271.6Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #2COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C14335.1Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #20COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14246.7Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #21COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14312.3Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #22COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14282.2Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #23COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14320.4Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #24COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14278.6Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #25COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14296.3Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #26COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14283.1Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #27COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14299.3Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #28COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14319.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #29COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14299.7Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #3COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C14305.0Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #30COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14273.9Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #31COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14380.5Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #32COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14418.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #33COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14390.3Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #34COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14408.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #35COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14382.2Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #4COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C14329.2Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #5COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14318.5Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #6COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14297.2Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #7COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14322.3Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #8COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14289.8Semi standard non polar33892256
Salviaflaside methyl ester,4TMS,isomer #9COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14307.2Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #1COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C14295.5Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #10COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14245.3Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #11COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14245.5Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #12COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14256.8Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #13COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14245.9Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #14COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14204.0Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #15COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14238.7Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #16COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14276.9Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #17COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14288.4Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #18COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14278.6Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #19COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14238.1Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #2COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C14274.8Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #20COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14268.7Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #21COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14380.7Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #3COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C14303.4Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #4COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14269.4Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #5COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14282.1Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #6COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14268.3Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #7COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C14284.3Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #8COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C14291.6Semi standard non polar33892256
Salviaflaside methyl ester,5TMS,isomer #9COC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C14285.2Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #1COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C14801.2Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #2COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C14826.2Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #3COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C14840.8Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #4COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14861.7Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #5COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14836.6Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #6COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14870.5Semi standard non polar33892256
Salviaflaside methyl ester,1TBDMS,isomer #7COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14908.5Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #1COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C14918.4Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #10COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14897.3Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #11COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14895.6Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #12COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C14955.5Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #13COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14910.1Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #14COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14893.0Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #15COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14932.3Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #16COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14967.4Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #17COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C14895.6Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #18COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C14915.7Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #19COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14937.9Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #2COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14930.5Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #20COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C14921.8Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #21COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14981.6Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #3COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C14852.3Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #4COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14870.3Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #5COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14854.7Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #6COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14851.9Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #7COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C14971.5Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #8COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C14892.2Semi standard non polar33892256
Salviaflaside methyl ester,2TBDMS,isomer #9COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14911.8Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #1COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C15049.0Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #10COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14967.6Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #11COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14968.9Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #12COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14959.6Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #13COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C14965.5Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #14COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C14964.4Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #15COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C14981.5Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #16COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C15016.0Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #17COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C15048.8Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #18COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C15044.2Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #19COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C15039.0Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #2COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C14977.0Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #20COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C15015.2Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #21COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C15016.2Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #22COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C15005.5Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #23COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C15020.2Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #24COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C15019.5Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #25COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C15031.3Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #26COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C15024.6Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #27COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14989.5Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #28COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C15054.3Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #29COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C14989.7Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #3COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C15004.9Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #30COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C15033.6Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #31COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C15011.6Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #32COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C15003.9Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #33COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C15034.3Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #34COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C15001.9Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #35COC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C15043.3Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #4COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14990.3Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #5COC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14987.8Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #6COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C14968.6Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #7COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C14999.1Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #8COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C14991.5Semi standard non polar33892256
Salviaflaside methyl ester,3TBDMS,isomer #9COC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C14987.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (Non-derivatized) - 70eV, Positivesplash10-0avi-8903660000-d36de0242589732a73d62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (2 TMS) - 70eV, Positivesplash10-084i-7412019000-01b870f58d92a1f2f8b92017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Salviaflaside methyl ester GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 10V, Positive-QTOFsplash10-00os-0839060000-3d03f217350249c3ae5d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 20V, Positive-QTOFsplash10-03mj-0925000000-db48bce5f6b92292a3e42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 40V, Positive-QTOFsplash10-024i-0911000000-f7032043cd35f44297692016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 10V, Negative-QTOFsplash10-01vx-1937070000-00d859d7a100faa9d3122016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 20V, Negative-QTOFsplash10-03ml-1925010000-2a066200bdd33685f4662016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 40V, Negative-QTOFsplash10-004i-2932000000-9d136758c1155fbc59b72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 10V, Positive-QTOFsplash10-00or-0509240000-41fd695abf8ad10095a82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 20V, Positive-QTOFsplash10-096s-0915010000-bea317a68500e0ac9ce42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 40V, Positive-QTOFsplash10-03xs-0902000000-39a037592bfd332c65f92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 10V, Negative-QTOFsplash10-003i-0209670000-7c9384afc3283a38d31a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 20V, Negative-QTOFsplash10-000i-0923110000-4014a9498be81326606d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Salviaflaside methyl ester 40V, Negative-QTOFsplash10-03di-0914000000-5829e7a60ba82a43d0512021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011821
KNApSAcK IDC00057157
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751482
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1837841
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .