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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:28:27 UTC

Update Date

2022-03-07 02:56:24 UTC

HMDB ID

HMDB0039930

Secondary Accession Numbers

HMDB39930

Metabolite Identification

Common Name

(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]

Description

(S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 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 (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] has been detected, but not quantified in, fruits. This could make (S)-multifidol 2-[apiosyl-(1->6)-glucoside] a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (S)-Multifidol 2-[apiosyl-(1->6)-glucoside].

Structure

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

  Mrv0541 05061311302D          

 35 37  0  0  0  0            999 V2000
   -0.7346   -9.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -9.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701   -9.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521   -8.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2027   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -9.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6876   -8.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316   -8.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822   -7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467   -8.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -8.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040   -4.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889   -5.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -6.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3338    0.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5081   -7.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960   -9.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413   -7.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395   -3.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2094   -5.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383   -6.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8973   -6.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -5.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 22  8  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  2  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 22  1  0  0  0  0
 32  6  1  0  0  0  0
 32 21  1  0  0  0  0
 33  8  1  0  0  0  0
 33 21  1  0  0  0  0
 34 12  1  0  0  0  0
 34 20  1  0  0  0  0
 35 13  1  0  0  0  0
 35 20  1  0  0  0  0
M  END

HMDB0039930
     RDKit          3D
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
 67 69  0  0  0  0  0  0  0  0999 V2000
   -4.2711    2.6653    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180    2.1306    2.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    0.6776    2.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    0.3865    3.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463   -0.0257    1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.1823    1.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314   -0.5652    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8976   -0.5463    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6285   -0.0689    1.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543   -0.9821   -0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0001   -1.4558   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7608   -1.8930   -3.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6543   -1.4931   -2.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616   -1.0539   -0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -1.1404   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -1.2217   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -0.2037   -2.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701   -0.4311   -2.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6492   -0.3359   -1.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7362    0.9340   -1.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    0.9897   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    2.0428   -0.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162    2.7671    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    1.9735    1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.7889    2.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7006    1.1444    2.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    2.0064    2.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4566    1.1634    1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268   -0.0904    1.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589   -1.6465   -3.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -2.5146   -3.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -2.4255   -3.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.6595   -3.8852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -2.5857   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -3.5968   -1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3627    2.6113    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    2.1418    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0308    3.7461    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629    2.4081    3.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4731    2.7440    2.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    0.1814    2.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -0.7058    3.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326    0.8558    3.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6693    0.8358    4.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6254   -0.1016    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7306   -0.9379   -0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0290   -1.2395   -3.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1169   -1.8774   -2.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.1046   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509    0.4404   -3.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -1.0864   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760   -0.4621   -2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   -0.0087   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.7465    0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950    2.9562    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    3.7293    2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305    0.5807    3.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    0.4485    1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826    1.8297    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    1.6274    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921   -0.7115    1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814   -1.3968   -4.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -3.1661   -3.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -1.7678   -3.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890   -3.8692   -4.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601   -2.8299   -1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -3.1699   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 24 28  1  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 14  7  1  0
 34 16  1  0
 28 21  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  2 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
  9 45  1  0
 10 46  1  0
 12 47  1  0
 13 48  1  0
 16 49  1  0
 18 50  1  0
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 19 52  1  0
 21 53  1  0
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 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
M  END

  Mrv0541 05061311302D          

 35 37  0  0  0  0            999 V2000
   -0.7346   -9.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -9.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701   -9.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3521   -8.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2027   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887   -0.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906   -9.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6876   -8.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316   -8.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3822   -7.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0467   -8.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -8.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040   -4.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3889   -5.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0533   -5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2329   -6.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3338    0.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1960   -9.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413   -7.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2395   -3.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2094   -5.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383   -6.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4847   -0.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8973   -6.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -5.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  7  1  0  0  0  0
 22  8  1  0  0  0  0
 22 19  1  0  0  0  0
 23  7  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 15  2  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 22  1  0  0  0  0
 32  6  1  0  0  0  0
 32 21  1  0  0  0  0
 33  8  1  0  0  0  0
 33 21  1  0  0  0  0
 34 12  1  0  0  0  0
 34 20  1  0  0  0  0
 35 13  1  0  0  0  0
 35 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039930

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3

> <INCHI_KEY>
MXXCYHQPSVRPOP-UHFFFAOYSA-N

> <FORMULA>
C22H32O13

> <MOLECULAR_WEIGHT>
504.4817

> <EXACT_MASS>
504.18429111

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
49.03504876023261

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one

> <ALOGPS_LOGP>
-0.83

> <JCHEM_LOGP>
-0.5862789933333334

> <ALOGPS_LOGS>
-1.75

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.764741989038077

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.89304067200768

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1423790163389214

> <JCHEM_POLAR_SURFACE_AREA>
215.82999999999993

> <JCHEM_REFRACTIVITY>
115.02049999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.89e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039930
     RDKit          3D
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
 67 69  0  0  0  0  0  0  0  0999 V2000
   -4.2711    2.6653    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180    2.1306    2.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    0.6776    2.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    0.3865    3.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463   -0.0257    1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.1823    1.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314   -0.5652    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8976   -0.5463    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6285   -0.0689    1.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543   -0.9821   -0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0001   -1.4558   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7608   -1.8930   -3.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6543   -1.4931   -2.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616   -1.0539   -0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -1.1404   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -1.2217   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -0.2037   -2.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701   -0.4311   -2.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6492   -0.3359   -1.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7362    0.9340   -1.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    0.9897   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    2.0428   -0.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162    2.7671    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    1.9735    1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.7889    2.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7006    1.1444    2.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    2.0064    2.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4566    1.1634    1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268   -0.0904    1.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589   -1.6465   -3.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -2.5146   -3.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -2.4255   -3.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.6595   -3.8852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -2.5857   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -3.5968   -1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3627    2.6113    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    2.1418    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0308    3.7461    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629    2.4081    3.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4731    2.7440    2.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    0.1814    2.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -0.7058    3.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326    0.8558    3.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6693    0.8358    4.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6254   -0.1016    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7306   -0.9379   -0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0290   -1.2395   -3.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1169   -1.8774   -2.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.1046   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509    0.4404   -3.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -1.0864   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760   -0.4621   -2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   -0.0087   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.7465    0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950    2.9562    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    3.7293    2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305    0.5807    3.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    0.4485    1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826    1.8297    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    1.6274    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921   -0.7115    1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814   -1.3968   -4.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -3.1661   -3.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -1.7678   -3.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890   -3.8692   -4.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601   -2.8299   -1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -3.1699   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 24 28  1  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 14  7  1  0
 34 16  1  0
 28 21  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  2 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
  9 45  1  0
 10 46  1  0
 12 47  1  0
 13 48  1  0
 16 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 21 53  1  0
 23 54  1  0
 23 55  1  0
 25 56  1  0
 26 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  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      -1.371 -18.541   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.434 -18.220   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.998 -17.135   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.124 -16.491   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.845 -13.838   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.851  -7.448   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.832  -1.281   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.556  -3.330   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.529 -16.974   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.750 -15.084   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.592 -16.652   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.313 -13.999   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.756  -8.693   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.687 -15.406   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.156 -15.567   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.287  -8.533   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.193  -9.778   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -7.566 -11.185   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.048  -3.330   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.035 -11.346   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.572  -4.795   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.802  -2.425   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.356   0.184   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -10.282 -14.923   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -5.966 -18.059   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.250 -14.321   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -7.914  -7.126   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -9.724  -9.617   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.471 -12.431   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -6.512  -2.854   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.771  -1.281   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -5.477  -6.041   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.032  -4.795   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -5.408 -12.753   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.129 -10.100   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    9                                                            
CONECT    3    1    9                                                       
CONECT    4   10   11                                                       
CONECT    5   10   12                                                       
CONECT    6   13   32                                                       
CONECT    7   22   23                                                       
CONECT    8   22   33                                                       
CONECT    9    2    3   15                                                  
CONECT   10    4    5   24                                                  
CONECT   11    4   14   25                                                  
CONECT   12    5   14   34                                                  
CONECT   13    6   16   35                                                  
CONECT   14   11   12   15                                                  
CONECT   15    9   14   26                                                  
CONECT   16   13   17   27                                                  
CONECT   17   16   18   28                                                  
CONECT   18   17   20   29                                                  
CONECT   19   21   22   30                                                  
CONECT   20   18   34   35                                                  
CONECT   21   19   32   33                                                  
CONECT   22    7    8   19   31                                             
CONECT   23    7                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   22                                                            
CONECT   32    6   21                                                       
CONECT   33    8   21                                                       
CONECT   34   12   20                                                       
CONECT   35   13   20                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

COMPND    HMDB0039930
HETATM    1  C1  UNL     1      -4.271   2.665   1.362  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.418   2.131   2.457  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.160   0.678   2.530  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.212   0.387   3.722  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.746  -0.026   1.330  1.00  0.00           C  
HETATM    6  O1  UNL     1      -1.475  -0.182   1.228  1.00  0.00           O  
HETATM    7  C6  UNL     1      -3.531  -0.565   0.221  1.00  0.00           C  
HETATM    8  C7  UNL     1      -4.898  -0.546   0.210  1.00  0.00           C  
HETATM    9  O2  UNL     1      -5.628  -0.069   1.334  1.00  0.00           O  
HETATM   10  C8  UNL     1      -5.654  -0.982  -0.866  1.00  0.00           C  
HETATM   11  C9  UNL     1      -5.000  -1.456  -1.972  1.00  0.00           C  
HETATM   12  O3  UNL     1      -5.761  -1.893  -3.052  1.00  0.00           O  
HETATM   13  C10 UNL     1      -3.654  -1.493  -2.001  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.862  -1.054  -0.913  1.00  0.00           C  
HETATM   15  O4  UNL     1      -1.564  -1.140  -1.054  1.00  0.00           O  
HETATM   16  C12 UNL     1      -0.278  -1.222  -1.181  1.00  0.00           C  
HETATM   17  O5  UNL     1       0.251  -0.204  -2.018  1.00  0.00           O  
HETATM   18  C13 UNL     1       1.470  -0.431  -2.546  1.00  0.00           C  
HETATM   19  C14 UNL     1       2.649  -0.336  -1.605  1.00  0.00           C  
HETATM   20  O6  UNL     1       2.736   0.934  -1.034  1.00  0.00           O  
HETATM   21  C15 UNL     1       3.873   0.990  -0.198  1.00  0.00           C  
HETATM   22  O7  UNL     1       4.683   2.043  -0.506  1.00  0.00           O  
HETATM   23  C16 UNL     1       5.016   2.767   0.599  1.00  0.00           C  
HETATM   24  C17 UNL     1       4.575   1.974   1.810  1.00  0.00           C  
HETATM   25  O8  UNL     1       4.048   2.789   2.799  1.00  0.00           O  
HETATM   26  C18 UNL     1       5.701   1.144   2.374  1.00  0.00           C  
HETATM   27  O9  UNL     1       6.706   2.006   2.859  1.00  0.00           O  
HETATM   28  C19 UNL     1       3.457   1.163   1.228  1.00  0.00           C  
HETATM   29  O10 UNL     1       3.427  -0.090   1.889  1.00  0.00           O  
HETATM   30  C20 UNL     1       1.559  -1.646  -3.466  1.00  0.00           C  
HETATM   31  O11 UNL     1       2.578  -2.515  -3.075  1.00  0.00           O  
HETATM   32  C21 UNL     1       0.251  -2.425  -3.239  1.00  0.00           C  
HETATM   33  O12 UNL     1       0.302  -3.659  -3.885  1.00  0.00           O  
HETATM   34  C22 UNL     1       0.176  -2.586  -1.738  1.00  0.00           C  
HETATM   35  O13 UNL     1      -0.711  -3.597  -1.371  1.00  0.00           O  
HETATM   36  H1  UNL     1      -5.363   2.611   1.597  1.00  0.00           H  
HETATM   37  H2  UNL     1      -4.075   2.142   0.401  1.00  0.00           H  
HETATM   38  H3  UNL     1      -4.031   3.746   1.143  1.00  0.00           H  
HETATM   39  H4  UNL     1      -3.963   2.408   3.425  1.00  0.00           H  
HETATM   40  H5  UNL     1      -2.473   2.744   2.557  1.00  0.00           H  
HETATM   41  H6  UNL     1      -4.114   0.181   2.891  1.00  0.00           H  
HETATM   42  H7  UNL     1      -2.152  -0.706   3.877  1.00  0.00           H  
HETATM   43  H8  UNL     1      -1.233   0.856   3.547  1.00  0.00           H  
HETATM   44  H9  UNL     1      -2.669   0.836   4.624  1.00  0.00           H  
HETATM   45  H10 UNL     1      -6.625  -0.102   1.349  1.00  0.00           H  
HETATM   46  H11 UNL     1      -6.731  -0.938  -0.804  1.00  0.00           H  
HETATM   47  H12 UNL     1      -6.029  -1.239  -3.798  1.00  0.00           H  
HETATM   48  H13 UNL     1      -3.117  -1.877  -2.898  1.00  0.00           H  
HETATM   49  H14 UNL     1       0.345  -1.105  -0.253  1.00  0.00           H  
HETATM   50  H15 UNL     1       1.651   0.440  -3.271  1.00  0.00           H  
HETATM   51  H16 UNL     1       2.678  -1.086  -0.819  1.00  0.00           H  
HETATM   52  H17 UNL     1       3.576  -0.462  -2.220  1.00  0.00           H  
HETATM   53  H18 UNL     1       4.403  -0.009  -0.239  1.00  0.00           H  
HETATM   54  H19 UNL     1       4.500   3.747   0.631  1.00  0.00           H  
HETATM   55  H20 UNL     1       6.095   2.956   0.629  1.00  0.00           H  
HETATM   56  H21 UNL     1       4.219   3.729   2.591  1.00  0.00           H  
HETATM   57  H22 UNL     1       5.331   0.581   3.259  1.00  0.00           H  
HETATM   58  H23 UNL     1       6.146   0.449   1.668  1.00  0.00           H  
HETATM   59  H24 UNL     1       7.583   1.830   2.406  1.00  0.00           H  
HETATM   60  H25 UNL     1       2.454   1.627   1.339  1.00  0.00           H  
HETATM   61  H26 UNL     1       4.092  -0.712   1.481  1.00  0.00           H  
HETATM   62  H27 UNL     1       1.581  -1.397  -4.528  1.00  0.00           H  
HETATM   63  H28 UNL     1       2.682  -3.166  -3.825  1.00  0.00           H  
HETATM   64  H29 UNL     1      -0.552  -1.768  -3.625  1.00  0.00           H  
HETATM   65  H30 UNL     1      -0.589  -3.869  -4.260  1.00  0.00           H  
HETATM   66  H31 UNL     1       1.160  -2.830  -1.316  1.00  0.00           H  
HETATM   67  H32 UNL     1      -1.415  -3.170  -0.822  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3   39   40
CONECT    3    4    5   41
CONECT    4   42   43   44
CONECT    5    6    6    7
CONECT    7    8    8   14
CONECT    8    9   10
CONECT    9   45
CONECT   10   11   11   46
CONECT   11   12   13
CONECT   12   47
CONECT   13   14   14   48
CONECT   14   15
CONECT   15   16
CONECT   16   17   34   49
CONECT   17   18
CONECT   18   19   30   50
CONECT   19   20   51   52
CONECT   20   21
CONECT   21   22   28   53
CONECT   22   23
CONECT   23   24   54   55
CONECT   24   25   26   28
CONECT   25   56
CONECT   26   27   57   58
CONECT   27   59
CONECT   28   29   60
CONECT   29   61
CONECT   30   31   32   62
CONECT   31   63
CONECT   32   33   34   64
CONECT   33   65
CONECT   34   35   66
CONECT   35   67
END

HMDB0039930
     RDKit          3D
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]
 67 69  0  0  0  0  0  0  0  0999 V2000
   -4.2711    2.6653    1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180    2.1306    2.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599    0.6776    2.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    0.3865    3.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7463   -0.0257    1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.1823    1.2276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5314   -0.5652    0.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8976   -0.5463    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6285   -0.0689    1.3343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543   -0.9821   -0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0001   -1.4558   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7608   -1.8930   -3.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6543   -1.4931   -2.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616   -1.0539   -0.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5645   -1.1404   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -1.2217   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -0.2037   -2.0175 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701   -0.4311   -2.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6492   -0.3359   -1.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7362    0.9340   -1.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8734    0.9897   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6833    2.0428   -0.5061 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162    2.7671    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    1.9735    1.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.7889    2.7993 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7006    1.1444    2.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    2.0064    2.8589 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4566    1.1634    1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268   -0.0904    1.8886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5589   -1.6465   -3.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -2.5146   -3.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509   -2.4255   -3.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.6595   -3.8852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755   -2.5857   -1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -3.5968   -1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3627    2.6113    1.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0747    2.1418    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0308    3.7461    1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9629    2.4081    3.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4731    2.7440    2.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    0.1814    2.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -0.7058    3.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2326    0.8558    3.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6693    0.8358    4.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6254   -0.1016    1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7306   -0.9379   -0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0290   -1.2395   -3.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1169   -1.8774   -2.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -1.1046   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509    0.4404   -3.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6783   -1.0864   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760   -0.4621   -2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4028   -0.0087   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.7465    0.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950    2.9562    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    3.7293    2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305    0.5807    3.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    0.4485    1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5826    1.8297    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    1.6274    1.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0921   -0.7115    1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5814   -1.3968   -4.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823   -3.1661   -3.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -1.7678   -3.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890   -3.8692   -4.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1601   -2.8299   -1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147   -3.1699   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  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
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 24 28  1  0
 28 29  1  0
 18 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 14  7  1  0
 34 16  1  0
 28 21  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  2 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
  9 45  1  0
 10 46  1  0
 12 47  1  0
 13 48  1  0
 16 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 21 53  1  0
 23 54  1  0
 23 55  1  0
 25 56  1  0
 26 57  1  0
 26 58  1  0
 27 59  1  0
 28 60  1  0
 29 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 33 65  1  0
 34 66  1  0
 35 67  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₂H₃₂O₁₃

Average Molecular Weight

504.4817

Monoisotopic Molecular Weight

504.18429111

IUPAC Name

1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one

Traditional Name

1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-one

CAS Registry Number

467437-62-3

SMILES

CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C22H32O13/c1-3-9(2)15(26)14-11(25)4-10(24)5-12(14)34-20-18(29)17(28)16(27)13(35-20)6-32-21-19(30)22(31,7-23)8-33-21/h4-5,9,13,16-21,23-25,27-31H,3,6-8H2,1-2H3

InChI Key

MXXCYHQPSVRPOP-UHFFFAOYSA-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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Alkyl-phenylketone
O-glycosyl compound
Disaccharide
Butyrophenone
Phenylpropane
Phenylketone
Benzoyl
Aryl alkyl ketone
Aryl ketone
Phenoxy compound
Resorcinol
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Benzenoid
Oxane
Monocyclic benzene moiety
Vinylogous acid
Tetrahydrofuran
Tertiary alcohol
Ketone
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039930)
Cytoplasm (HMDB: HMDB0039930)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039930)

Source

Exogenous

Exogenous (HMDB: HMDB0039930)

Food

Food (HMDB: HMDB0039930)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0039930)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039930)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	8.89 g/L	ALOGPS
logP	-0.83	ALOGPS
logP	-0.59	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	7.89	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	215.83 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	115.02 m³·mol⁻¹	ChemAxon
Polarizability	49.04 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
DarkChem	[M+H]+	213.594	31661259
DarkChem	[M-H]-	206.625	31661259
DeepCCS	[M+H]+	209.037	30932474
DeepCCS	[M-H]-	206.679	30932474
DeepCCS	[M-2H]-	239.89	30932474
DeepCCS	[M+Na]+	215.13	30932474
AllCCS	[M+H]+	214.1	32859911
AllCCS	[M+H-H2O]+	212.3	32859911
AllCCS	[M+NH4]+	215.6	32859911
AllCCS	[M+Na]+	216.1	32859911
AllCCS	[M-H]-	210.3	32859911
AllCCS	[M+Na-2H]-	211.6	32859911
AllCCS	[M+HCOO]-	213.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	3833.1	Standard polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	3857.2	Standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside]	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	4092.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	4018.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #2	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	3989.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #3	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	4023.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #4	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O	3969.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #5	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	4015.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #6	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O	3978.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #7	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O	3952.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TMS,isomer #8	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C	3987.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3931.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #10	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	3896.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #11	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O	3892.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #12	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O	3872.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #13	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C	3905.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #14	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3882.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #15	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3913.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #16	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3903.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #17	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3877.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #18	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3925.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #19	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3847.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #2	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3864.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #20	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3839.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #21	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3814.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #22	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3858.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #23	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3891.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #24	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3859.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #25	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3911.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #26	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3874.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #27	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3913.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #28	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3897.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #3	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3917.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #4	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3914.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #5	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3882.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #6	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3935.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #7	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3916.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #8	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3917.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TMS,isomer #9	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O	3852.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3815.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #10	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3797.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #11	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3763.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #12	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3819.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #13	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3803.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #14	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3846.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #15	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3818.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #16	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3826.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #17	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3870.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #18	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3822.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #19	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3857.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #2	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3851.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #20	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3808.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #21	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3838.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #22	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3779.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #23	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3835.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #24	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3827.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #25	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3803.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #26	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3842.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #27	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3745.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #28	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3760.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #29	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3740.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #3	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3841.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #30	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3772.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #31	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3807.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #32	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3786.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #33	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3824.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #34	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3806.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #35	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3842.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #36	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3832.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #37	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3811.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #38	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3793.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #39	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3763.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #4	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3821.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #40	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3816.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #41	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3826.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #42	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3801.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #43	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3853.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #44	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3818.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #45	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3861.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #46	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3842.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #47	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3751.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #48	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3721.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #49	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3778.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #5	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3860.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #50	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3758.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #51	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3805.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #52	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3783.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #53	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3788.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #54	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3845.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #55	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3821.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #56	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3873.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #6	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3833.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #7	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3775.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #8	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3780.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,isomer #9	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3760.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3765.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #10	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3778.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #11	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3825.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #12	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3763.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #13	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3804.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #14	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3748.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #15	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3775.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #16	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3710.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #17	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3675.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #18	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3733.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #19	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3682.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #2	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3759.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #20	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3721.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #21	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3763.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #22	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3701.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #23	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3741.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #24	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3691.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #25	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3713.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #26	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3753.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #27	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3808.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #28	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3738.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #29	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3782.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #3	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3726.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #30	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3715.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #31	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3755.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #32	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3831.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #33	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3741.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #34	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3779.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #35	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3765.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #36	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3710.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #37	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3699.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #38	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3672.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #39	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3717.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #4	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3779.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #40	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3747.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #41	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3710.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #42	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3772.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #43	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3727.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #44	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3782.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #45	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3755.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #46	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3657.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #47	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3623.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #48	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3679.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #49	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3669.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #5	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3722.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #50	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3720.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #51	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3692.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #52	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3700.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #53	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3760.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #54	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3730.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #55	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3789.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #56	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3745.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #57	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3698.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #58	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3770.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #59	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3710.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #6	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3797.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #60	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3773.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #61	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3735.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #62	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3752.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #63	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3819.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #64	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3781.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #65	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3819.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #66	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3662.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #67	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3732.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #68	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3687.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #69	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3746.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #7	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3765.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #70	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3792.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #8	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3819.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],4TMS,isomer #9	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3775.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C	3715.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #10	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3656.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #11	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3726.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #12	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3774.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #13	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3692.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #14	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3750.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #15	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3667.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #16	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3710.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #17	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3768.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #18	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3675.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #19	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3711.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #2	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3675.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #20	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3692.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #21	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3649.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #22	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3687.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #23	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3616.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #24	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3668.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #25	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3606.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #26	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3631.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #27	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3714.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #28	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3636.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #29	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3667.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #3	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3732.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #30	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3652.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #31	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3754.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #32	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3651.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #33	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3696.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #34	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3675.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #35	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3732.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #36	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3629.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #37	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3596.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #38	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3646.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #39	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3614.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #4	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3659.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #40	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3651.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #41	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3628.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #42	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3640.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #43	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3698.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #44	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3665.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #45	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3693.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #46	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3574.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #47	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3617.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #48	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3592.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #49	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3638.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #5	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C	3689.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #50	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3674.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #51	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3667.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #52	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3720.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #53	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3692.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #54	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3703.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #55	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3759.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #56	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3657.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #6	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3723.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #7	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3646.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #8	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C(O)C=C1O[Si](C)(C)C	3707.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],5TMS,isomer #9	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C=C(O[Si](C)(C)C)C=C1O[Si](C)(C)C	3638.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4207.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #2	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	4179.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #3	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4213.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #4	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4160.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #5	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4218.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #6	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4185.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #7	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4171.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #8	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4203.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4294.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #10	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4285.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #11	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4278.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #12	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4276.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #13	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4294.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #14	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4257.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #15	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4286.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #16	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4260.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #17	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4257.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #18	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4278.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #19	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4228.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #2	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4259.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #20	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4216.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #21	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4218.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #22	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4234.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #23	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4265.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #24	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4260.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #25	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4287.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #26	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4264.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #27	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4297.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #28	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4288.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #3	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4288.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #4	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4286.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #5	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4283.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #6	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4309.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #7	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4301.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #8	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4307.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #9	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4263.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #1	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4349.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #10	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4353.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #11	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4371.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #12	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4345.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #13	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4348.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #14	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4368.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #15	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4373.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #16	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4375.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #17	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4421.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #18	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4393.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #19	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4409.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #2	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4370.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #20	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4401.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #21	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4402.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #22	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4347.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #23	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4377.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #24	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4377.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #25	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4382.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #26	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4377.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #27	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4308.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #28	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4340.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #29	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4349.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #3	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4360.1	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #30	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4342.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #31	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4352.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #32	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4349.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #33	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4360.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #34	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4364.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #35	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4404.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #36	CCC(C)C(=O)C1=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4392.4	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #37	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4335.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #38	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4309.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #39	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4313.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #4	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4369.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #40	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4323.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #41	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4329.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #42	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4326.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #43	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4352.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #44	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4330.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #45	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4378.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #46	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4357.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #47	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4276.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #48	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4282.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #49	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4293.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #5	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4378.3	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #50	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4299.9	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #51	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4342.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #52	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4326.5	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #53	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[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)C1O	4318.7	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #54	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4378.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #55	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4353.0	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #56	CCC(C)C(=O)C1=C(O)C=C(O)C=C1OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4417.2	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #6	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(CO)(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C=C(O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4398.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #7	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4310.8	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #8	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4339.6	Semi standard non polar	33892256
(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #9	CCC(C)C(=O)C1=C(OC2OC(COC3OCC(O)(CO[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C(O)C=C1O[Si](C)(C)C(C)(C)C	4351.7	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 - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-0079-6131900000-c2a41721f1ae1517e6ea	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (2 TMS) - 70eV, Positive	splash10-001i-4531239000-1e623491b334580b9714	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_3_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_4_42) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_4_48) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_4_53) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_4_54) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_5_38) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_5_43) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_5_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_5_47) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_5_48) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TMS_5_50) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_2_13) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_3_30) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_3_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_3_35) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_3_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS (TBDMS_3_55) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] GC-MS ("(S)-Multifidol 2-[apiosyl-(1->6)-glucoside],3TMS,#33" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-08g0-1491730000-80a6bb6c8a2261327ff2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-03di-2982100000-9a0233b7a8acc8c20e92	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-08fr-9750000000-4f66931582f86ebff64a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0pi0-0692850000-94706bfdccf320e1f274	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-0a4i-2961400000-d17f4fbedafddbd30522	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a59-2930000000-f2f59f9cb157761cf07a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0udi-0000190000-9b4d46633b4358184d12	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-0ul0-4938620000-7944d105cd1c3cd1ebee	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0udi-6900000000-5be4596e1f79dc84e700	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0a4i-0431290000-5fc4beedb68836298ae4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0a4i-2319540000-b796c7f2abeb5a8da531	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0002-1921200000-a292ebcdd5b81cd5d6a4	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB019592

KNApSAcK ID

Not Available

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

73077146

PDB ID

Not Available

ChEBI ID

173280

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 (S)-Multifidol 2-[apiosyl-(1->6)-glucoside] (HMDB0039930)

MOL for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

3D MOL for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

3D SDF for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

3D-SDF for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

PDB for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

3D PDB for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

SMILES for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

INCHI for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

Structure for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

3D Structure for HMDB0039930 ((S)-Multifidol 2-[apiosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra