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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 03:16:12 UTC

Update Date

2022-03-07 02:57:05 UTC

HMDB ID

HMDB0041577

Secondary Accession Numbers

HMDB41577

Metabolite Identification

Common Name

3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]

Description

3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside].

Structure

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


  Mrv1652307201900082D          

 38 40  0  0  0  0            999 V2000
   -1.8224  -10.0681    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
   -4.8170   -9.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0541   -9.0508    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
   -3.5316   -8.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503  -11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239  -10.6668    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
   -2.6229  -10.2677    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
   -3.6508  -11.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2094   -5.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
   -2.5121   -9.2129    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
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   -2.7479   -5.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262   -8.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929   -8.2366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
 12  1  1  0  0  0  0
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 24  6  1  0  0  0  0
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 24 22  1  0  0  0  0
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 30 19  1  0  0  0  0
 31 23  1  0  0  0  0
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 35 13  1  0  0  0  0
 35 20  1  0  0  0  0
 36 15  1  0  0  0  0
 36 20  1  0  0  0  0
 37  5  1  0  0  0  0
 38  6  1  0  0  0  0
M  END

HMDB0041577
     RDKit          3D
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]
 76 78  0  0  0  0  0  0  0  0999 V2000
   -6.6339    1.8829    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2475    0.5961    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1239   -0.0772   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6068   -1.2652    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6763   -2.0779    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8749    0.0919    0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7159   -0.0372    2.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322    1.1221    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    1.0161    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664    2.0428   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    2.9728   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0632    0.4401   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    0.1812   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    0.7367    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307201900082D          

 38 40  0  0  0  0            999 V2000
   -1.8224  -10.0681    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
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   -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
   -2.2262   -8.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929   -8.2366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
 12  1  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  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  3  1  0  0  0  0
 22  4  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 23 11  1  0  0  0  0
 23 19  1  0  0  0  0
 24  6  1  0  0  0  0
 24 12  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  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 23  1  0  0  0  0
 32 24  1  0  0  0  0
 33  9  1  0  0  0  0
 33 21  1  0  0  0  0
 34 11  1  0  0  0  0
 34 21  1  0  0  0  0
 35 13  1  0  0  0  0
 35 20  1  0  0  0  0
 36 15  1  0  0  0  0
 36 20  1  0  0  0  0
 37  5  1  0  0  0  0
 38  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041577

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+

> <INCHI_KEY>
FCEJNLVNFSUDTK-AATRIKPKSA-N

> <FORMULA>
C24H40O12

> <MOLECULAR_WEIGHT>
520.572

> <EXACT_MASS>
520.251976728

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
53.566674660365024

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.07

> <JCHEM_LOGP>
-2.039674158666667

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.294157386266377

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.696934697994456

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8636614902951587

> <JCHEM_POLAR_SURFACE_AREA>
198.75999999999996

> <JCHEM_REFRACTIVITY>
124.90809999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.52e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041577
     RDKit          3D
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]
 76 78  0  0  0  0  0  0  0  0999 V2000
   -6.6339    1.8829    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2475    0.5961    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1239   -0.0772   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8858   -1.3667   -0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0414   -2.1129   -0.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8584   -2.1047   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -1.2652    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9061   -1.1383   -1.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763   -2.0779    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8749    0.0919    0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7159   -0.0372    2.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322    1.1221    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    1.0161    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664    2.0428   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    2.9728   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    1.4814   -0.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267    1.6664   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    0.4401   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    0.1812   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    0.7367    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589    0.5089    1.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582   -0.8020    1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832   -1.0867    2.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4161   -2.1425    2.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -1.9696    0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9971   -3.1962    0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2262   -1.2783    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2416   -2.0029    1.1313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8243   -1.0791    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979    0.1107   -0.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534    0.5701   -1.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855   -0.5285   -2.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    1.4617   -2.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    0.6807   -2.9259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425    2.4406   -1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314    3.4896   -1.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1160    2.0633    2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4091    2.7609    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7203    1.9455    1.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1430    0.3365   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5368   -1.2626   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8716   -1.5837   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2815   -2.4036    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5473   -3.0318   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -1.2642   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2752   -1.9347   -1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0742   -0.1108   -1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4606   -1.5041    1.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1403   -3.0268    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -2.3383    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0355    0.6194    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962    2.0179   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886    0.1469    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688    2.5574    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944    3.6159   -1.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1194    3.6568   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0019    2.3311   -1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    2.2621    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -0.9220   -0.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6843    0.1644    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356    1.7856    1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -1.5428    1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532   -2.1204    2.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183   -3.1280    2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -3.0523   -0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -0.2479    0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627   -1.1939   -0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9712   -1.4665    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3748   -1.6710   -0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5162    0.0901   -1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910    1.1143   -1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775   -1.3347   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753    2.0434   -3.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665   -0.2488   -3.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    2.8794   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752    3.7715   -2.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 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
 25 26  1  0
 25 27  1  0
 27 28  1  0
 25 29  1  0
 29 30  1  0
 19 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 10  2  1  0
 35 17  1  0
 29 22  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  8 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
  9 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 15 57  1  0
 17 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 22 62  1  0
 24 63  1  0
 24 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
 36 76  1  0
M  END

HEADER    PROTEIN                                 20-JUL-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUL-19         0                                  
HETATM    1  C   UNK     0      -3.402 -18.794   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.845 -13.838   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.992 -18.270   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.568 -16.895   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.687 -15.406   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.592 -16.652   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.321 -20.647   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.885 -19.911   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.851  -7.448   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.832  -1.281   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.556  -3.330   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.896 -19.166   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.313 -13.999   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.815 -21.019   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.756  -8.693   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      -7.460 -18.431   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.802  -2.425   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.966 -18.059   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -6.339  -1.601   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -7.239 -22.499   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      -4.689 -17.197   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.477  -6.041   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.032  -4.795   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.408 -12.753   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -5.129 -10.100   0.000  0.00  0.00           O+0
HETATM   37  H   UNK     0      -4.156 -15.567   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -7.453 -15.375   0.000  0.00  0.00           H+0
CONECT    1   12                                                            
CONECT    2   13                                                            
CONECT    3   22                                                            
CONECT    4   22                                                            
CONECT    5    6   13   37                                                  
CONECT    6    5   24   38                                                  
CONECT    7   12   14                                                       
CONECT    8   14   22                                                       
CONECT    9   15   33                                                       
CONECT   10   23   25                                                       
CONECT   11   23   34                                                       
CONECT   12    1    7   24                                                  
CONECT   13    2    5   35                                                  
CONECT   14    7    8   26                                                  
CONECT   15    9   16   36                                                  
CONECT   16   15   17   27                                                  
CONECT   17   16   18   28                                                  
CONECT   18   17   20   29                                                  
CONECT   19   21   23   30                                                  
CONECT   20   18   35   36                                                  
CONECT   21   19   33   34                                                  
CONECT   22    3    4    8   24                                             
CONECT   23   10   11   19   31                                             
CONECT   24    6   12   22   32                                             
CONECT   25   10                                                            
CONECT   26   14                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   23                                                            
CONECT   32   24                                                            
CONECT   33    9   21                                                       
CONECT   34   11   21                                                       
CONECT   35   13   20                                                       
CONECT   36   15   20                                                       
CONECT   37    5                                                            
CONECT   38    6                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

COMPND    HMDB0041577
HETATM    1  C1  UNL     1      -6.634   1.883   1.153  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.247   0.596   0.528  1.00  0.00           C  
HETATM    3  C3  UNL     1      -7.124  -0.077  -0.183  1.00  0.00           C  
HETATM    4  C4  UNL     1      -6.886  -1.367  -0.862  1.00  0.00           C  
HETATM    5  O1  UNL     1      -8.041  -2.113  -0.853  1.00  0.00           O  
HETATM    6  C5  UNL     1      -5.858  -2.105  -0.028  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.607  -1.265   0.156  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.906  -1.138  -1.193  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.676  -2.078   1.049  1.00  0.00           C  
HETATM   10  C9  UNL     1      -4.875   0.092   0.717  1.00  0.00           C  
HETATM   11  O2  UNL     1      -4.716  -0.037   2.121  1.00  0.00           O  
HETATM   12  C10 UNL     1      -3.932   1.122   0.189  1.00  0.00           C  
HETATM   13  C11 UNL     1      -2.614   1.016   0.292  1.00  0.00           C  
HETATM   14  C12 UNL     1      -1.666   2.043  -0.235  1.00  0.00           C  
HETATM   15  C13 UNL     1      -2.459   2.973  -1.125  1.00  0.00           C  
HETATM   16  O3  UNL     1      -0.656   1.481  -0.991  1.00  0.00           O  
HETATM   17  C14 UNL     1       0.627   1.666  -0.456  1.00  0.00           C  
HETATM   18  O4  UNL     1       1.063   0.440  -0.071  1.00  0.00           O  
HETATM   19  C15 UNL     1       2.410   0.181  -0.131  1.00  0.00           C  
HETATM   20  C16 UNL     1       3.112   0.737   1.087  1.00  0.00           C  
HETATM   21  O5  UNL     1       4.459   0.509   1.127  1.00  0.00           O  
HETATM   22  C17 UNL     1       4.858  -0.802   1.169  1.00  0.00           C  
HETATM   23  O6  UNL     1       5.583  -1.087   2.343  1.00  0.00           O  
HETATM   24  C18 UNL     1       6.416  -2.142   2.060  1.00  0.00           C  
HETATM   25  C19 UNL     1       6.898  -1.970   0.652  1.00  0.00           C  
HETATM   26  O7  UNL     1       6.997  -3.196   0.003  1.00  0.00           O  
HETATM   27  C20 UNL     1       8.226  -1.278   0.550  1.00  0.00           C  
HETATM   28  O8  UNL     1       9.242  -2.003   1.131  1.00  0.00           O  
HETATM   29  C21 UNL     1       5.824  -1.079   0.048  1.00  0.00           C  
HETATM   30  O9  UNL     1       6.398   0.111  -0.381  1.00  0.00           O  
HETATM   31  C22 UNL     1       3.053   0.570  -1.433  1.00  0.00           C  
HETATM   32  O10 UNL     1       3.385  -0.529  -2.231  1.00  0.00           O  
HETATM   33  C23 UNL     1       2.191   1.462  -2.292  1.00  0.00           C  
HETATM   34  O11 UNL     1       1.209   0.681  -2.926  1.00  0.00           O  
HETATM   35  C24 UNL     1       1.543   2.441  -1.335  1.00  0.00           C  
HETATM   36  O12 UNL     1       0.931   3.490  -1.992  1.00  0.00           O  
HETATM   37  H1  UNL     1      -6.116   2.063   2.115  1.00  0.00           H  
HETATM   38  H2  UNL     1      -6.409   2.761   0.503  1.00  0.00           H  
HETATM   39  H3  UNL     1      -7.720   1.946   1.371  1.00  0.00           H  
HETATM   40  H4  UNL     1      -8.143   0.336  -0.302  1.00  0.00           H  
HETATM   41  H5  UNL     1      -6.537  -1.263  -1.897  1.00  0.00           H  
HETATM   42  H6  UNL     1      -8.872  -1.584  -0.754  1.00  0.00           H  
HETATM   43  H7  UNL     1      -6.281  -2.404   0.941  1.00  0.00           H  
HETATM   44  H8  UNL     1      -5.547  -3.032  -0.542  1.00  0.00           H  
HETATM   45  H9  UNL     1      -2.815  -1.264  -1.060  1.00  0.00           H  
HETATM   46  H10 UNL     1      -4.275  -1.935  -1.845  1.00  0.00           H  
HETATM   47  H11 UNL     1      -4.074  -0.111  -1.580  1.00  0.00           H  
HETATM   48  H12 UNL     1      -3.461  -1.504   1.977  1.00  0.00           H  
HETATM   49  H13 UNL     1      -4.140  -3.027   1.383  1.00  0.00           H  
HETATM   50  H14 UNL     1      -2.727  -2.338   0.538  1.00  0.00           H  
HETATM   51  H15 UNL     1      -4.036   0.619   2.399  1.00  0.00           H  
HETATM   52  H16 UNL     1      -4.296   2.018  -0.312  1.00  0.00           H  
HETATM   53  H17 UNL     1      -2.189   0.147   0.780  1.00  0.00           H  
HETATM   54  H18 UNL     1      -1.269   2.557   0.682  1.00  0.00           H  
HETATM   55  H19 UNL     1      -1.794   3.616  -1.765  1.00  0.00           H  
HETATM   56  H20 UNL     1      -3.119   3.657  -0.553  1.00  0.00           H  
HETATM   57  H21 UNL     1      -3.002   2.331  -1.849  1.00  0.00           H  
HETATM   58  H22 UNL     1       0.467   2.262   0.491  1.00  0.00           H  
HETATM   59  H23 UNL     1       2.518  -0.922  -0.054  1.00  0.00           H  
HETATM   60  H24 UNL     1       2.684   0.164   1.972  1.00  0.00           H  
HETATM   61  H25 UNL     1       2.836   1.786   1.317  1.00  0.00           H  
HETATM   62  H26 UNL     1       4.027  -1.543   1.142  1.00  0.00           H  
HETATM   63  H27 UNL     1       7.253  -2.120   2.790  1.00  0.00           H  
HETATM   64  H28 UNL     1       5.918  -3.128   2.126  1.00  0.00           H  
HETATM   65  H29 UNL     1       7.046  -3.052  -0.983  1.00  0.00           H  
HETATM   66  H30 UNL     1       8.181  -0.248   0.991  1.00  0.00           H  
HETATM   67  H31 UNL     1       8.463  -1.194  -0.538  1.00  0.00           H  
HETATM   68  H32 UNL     1       9.971  -1.467   1.507  1.00  0.00           H  
HETATM   69  H33 UNL     1       5.375  -1.671  -0.779  1.00  0.00           H  
HETATM   70  H34 UNL     1       6.516   0.090  -1.351  1.00  0.00           H  
HETATM   71  H35 UNL     1       3.991   1.114  -1.222  1.00  0.00           H  
HETATM   72  H36 UNL     1       2.978  -1.335  -1.783  1.00  0.00           H  
HETATM   73  H37 UNL     1       2.775   2.043  -3.005  1.00  0.00           H  
HETATM   74  H38 UNL     1       1.567  -0.249  -3.055  1.00  0.00           H  
HETATM   75  H39 UNL     1       2.355   2.879  -0.738  1.00  0.00           H  
HETATM   76  H40 UNL     1       1.375   3.772  -2.817  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3   10
CONECT    3    4   40
CONECT    4    5    6   41
CONECT    5   42
CONECT    6    7   43   44
CONECT    7    8    9   10
CONECT    8   45   46   47
CONECT    9   48   49   50
CONECT   10   11   12
CONECT   11   51
CONECT   12   13   13   52
CONECT   13   14   53
CONECT   14   15   16   54
CONECT   15   55   56   57
CONECT   16   17
CONECT   17   18   35   58
CONECT   18   19
CONECT   19   20   31   59
CONECT   20   21   60   61
CONECT   21   22
CONECT   22   23   29   62
CONECT   23   24
CONECT   24   25   63   64
CONECT   25   26   27   29
CONECT   26   65
CONECT   27   28   66   67
CONECT   28   68
CONECT   29   30   69
CONECT   30   70
CONECT   31   32   33   71
CONECT   32   72
CONECT   33   34   35   73
CONECT   34   74
CONECT   35   36   75
CONECT   36   76
END

HMDB0041577
     RDKit          3D
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]
 76 78  0  0  0  0  0  0  0  0999 V2000
   -6.6339    1.8829    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2475    0.5961    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1239   -0.0772   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8858   -1.3667   -0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0414   -2.1129   -0.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8584   -2.1047   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068   -1.2652    0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9061   -1.1383   -1.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6763   -2.0779    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8749    0.0919    0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7159   -0.0372    2.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322    1.1221    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144    1.0161    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6664    2.0428   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    2.9728   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6561    1.4814   -0.9907 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267    1.6664   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    0.4401   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    0.1812   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    0.7367    1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589    0.5089    1.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582   -0.8020    1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832   -1.0867    2.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4161   -2.1425    2.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8980   -1.9696    0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9971   -3.1962    0.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2262   -1.2783    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2416   -2.0029    1.1313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8243   -1.0791    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979    0.1107   -0.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0534    0.5701   -1.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855   -0.5285   -2.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    1.4617   -2.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    0.6807   -2.9259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5425    2.4406   -1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9314    3.4896   -1.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1160    2.0633    2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4091    2.7609    0.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7203    1.9455    1.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1430    0.3365   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5368   -1.2626   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8716   -1.5837   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2815   -2.4036    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5473   -3.0318   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -1.2642   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2752   -1.9347   -1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0742   -0.1108   -1.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4606   -1.5041    1.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1403   -3.0268    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7265   -2.3383    0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0355    0.6194    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2962    2.0179   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886    0.1469    0.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2688    2.5574    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7944    3.6159   -1.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1194    3.6568   -0.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0019    2.3311   -1.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4670    2.2621    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -0.9220   -0.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6843    0.1644    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8356    1.7856    1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -1.5428    1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532   -2.1204    2.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183   -3.1280    2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -3.0523   -0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -0.2479    0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627   -1.1939   -0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9712   -1.4665    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3748   -1.6710   -0.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5162    0.0901   -1.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910    1.1143   -1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9775   -1.3347   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7753    2.0434   -3.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5665   -0.2488   -3.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    2.8794   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752    3.7715   -2.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 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
 25 26  1  0
 25 27  1  0
 27 28  1  0
 25 29  1  0
 29 30  1  0
 19 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 10  2  1  0
 35 17  1  0
 29 22  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  4 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  8 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
  9 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 15 56  1  0
 15 57  1  0
 17 58  1  0
 19 59  1  0
 20 60  1  0
 20 61  1  0
 22 62  1  0
 24 63  1  0
 24 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
 36 76  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3b,6a-Dihydroxy-a-ionol 9-[apiosyl-(1->6)-glucoside]	Generator
3b,6a-Dihydroxy-α-ionol 9-[apiosyl-(1->6)-glucoside]	Generator

Chemical Formula

C₂₄H₄₀O₁₂

Average Molecular Weight

520.572

Monoisotopic Molecular Weight

520.251976728

IUPAC Name

2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

Traditional Name

2-{[(3E)-4-(1,4-dihydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]oxy}-6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

CAS Registry Number

177261-72-2

SMILES

[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C

InChI Identifier

InChI=1S/C24H40O12/c1-12-7-14(26)8-22(3,4)24(12,32)6-5-13(2)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-7,13-21,25-32H,8-11H2,1-4H3/b6-5+

InChI Key

FCEJNLVNFSUDTK-AATRIKPKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Sesquiterpenoid
Megastigmane sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Ionone derivative
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Tetrahydrofuran
Tertiary alcohol
Secondary alcohol
Polyol
Oxacycle
Organoheterocyclic compound
Acetal
Primary alcohol
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0041577)

Biofluid or Excreta

Urine (HMDB: HMDB0041577)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041577)

Source

Endogenous

Endogenous (HMDB: HMDB0041577)

Plant

Plant (HMDB: HMDB0041577)

Animal

Animal (HMDB: HMDB0041577)

Exogenous

Food

Food (HMDB: HMDB0041577)

Fruit

Fruits (FooDB: FOOD00871)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0041577)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0041577)

Cellular process

Cell signaling (HMDB: HMDB0041577)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0041577)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0041577)

Nutrient

Nutrient (HMDB: HMDB0041577)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0041577)

Emulsifier (HMDB: HMDB0041577)

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	2.52 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-2	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	11.7	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	198.76 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	124.91 m³·mol⁻¹	ChemAxon
Polarizability	53.57 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]+	216.134	31661259
DarkChem	[M-H]-	209.78	31661259
DeepCCS	[M+H]+	223.657	30932474
DeepCCS	[M-H]-	220.685	30932474
DeepCCS	[M-2H]-	254.612	30932474
DeepCCS	[M+Na]+	230.973	30932474
AllCCS	[M+H]+	222.9	32859911
AllCCS	[M+H-H2O]+	221.4	32859911
AllCCS	[M+NH4]+	224.3	32859911
AllCCS	[M+Na]+	224.6	32859911
AllCCS	[M-H]-	217.0	32859911
AllCCS	[M+Na-2H]-	219.0	32859911
AllCCS	[M+HCOO]-	221.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]	[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C	3471.9	Standard polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]	[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C	3762.6	Standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside]	[H]\C(C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)=C(\[H])C1(O)C(C)=CC(O)CC1(C)C	3871.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #1	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3882.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #2	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O	3839.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #3	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	3876.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #4	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O	3851.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #5	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O	3835.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #6	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C	3835.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #7	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3865.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TMS,isomer #8	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	3838.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3765.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #10	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3745.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #11	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3732.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #12	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3709.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #13	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3718.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #14	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	3751.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #15	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3792.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #16	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3768.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #17	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3742.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #18	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3751.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #19	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O	3740.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #2	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3794.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #20	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3785.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #21	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3741.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #22	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3738.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #23	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O	3707.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #24	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3756.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #25	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3743.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #26	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C	3722.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #27	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3766.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #28	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3777.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #3	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3753.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #4	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3809.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #5	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3782.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #6	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3758.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #7	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3771.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #8	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O	3714.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TMS,isomer #9	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3754.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3699.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #10	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3682.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #11	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3688.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #12	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3678.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #13	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3654.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #14	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3638.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #15	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3638.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #16	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3697.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #17	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3669.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #18	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3681.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #19	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3670.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #2	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3639.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #20	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3673.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #21	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3664.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #22	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3641.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #23	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3598.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #24	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3601.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #25	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3576.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #26	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3582.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #27	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3644.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #28	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3648.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #29	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3622.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #3	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3684.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #30	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3626.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #31	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3618.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #32	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3600.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #33	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3598.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #34	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3596.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #35	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3606.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #36	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3593.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #37	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3671.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #38	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3636.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #39	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3602.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #4	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3668.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #40	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3616.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #41	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3680.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #42	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3650.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #43	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3659.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #44	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3634.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #45	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3635.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #46	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3629.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #47	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3682.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #48	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3611.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #49	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3626.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #5	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3640.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #50	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3659.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #51	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3668.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #52	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3649.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #53	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3645.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #54	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3610.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #55	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3655.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #56	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3656.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #6	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3653.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #7	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3672.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #8	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3718.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TMS,isomer #9	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3706.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3562.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #10	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3589.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #11	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3556.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #12	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3568.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #13	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3551.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #14	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3561.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #15	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3551.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #16	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3602.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #17	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3578.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #18	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3560.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #19	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3556.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #2	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3610.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #20	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3618.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #21	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3588.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #22	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3600.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #23	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3584.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #24	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3594.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #25	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3585.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #26	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3589.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #27	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3565.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #28	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3569.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #29	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3549.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #3	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3603.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #30	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3560.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #31	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3548.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #32	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3575.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #33	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3581.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #34	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3574.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #35	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3580.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #36	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3524.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #37	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3542.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #38	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3519.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #39	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3517.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #4	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3579.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #40	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3507.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #41	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3479.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #42	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3482.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #43	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3486.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #44	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3499.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #45	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3487.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #46	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3541.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #47	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3523.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #48	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3517.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #49	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3524.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #5	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3577.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #50	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3540.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #51	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3524.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #52	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3504.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #53	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3513.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #54	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3504.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #55	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3508.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #56	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3568.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #57	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3541.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #58	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3544.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #59	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3513.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #6	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3574.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #60	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3526.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #61	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3516.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #62	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3551.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #63	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3562.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #64	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3552.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #65	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3537.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #66	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3552.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #67	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3568.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #68	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3539.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #69	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3568.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #7	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3554.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #70	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3553.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #8	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3526.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],4TMS,isomer #9	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3531.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #1	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3511.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #10	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3471.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #11	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3493.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #12	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3461.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #13	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3470.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #14	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3436.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #15	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3452.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #16	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3437.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #17	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3469.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #18	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3481.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #19	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3469.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #2	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3480.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #20	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3462.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #21	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3525.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #22	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3499.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #23	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3497.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #24	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3471.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #25	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3488.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #26	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3472.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #27	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3498.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #28	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3512.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #29	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3498.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #3	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3456.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #30	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3486.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #31	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3490.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #32	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3502.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #33	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3490.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #34	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3465.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #35	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3491.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #36	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3447.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #37	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3422.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #38	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3417.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #39	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3420.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #4	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C)(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3452.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #40	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3442.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #41	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3424.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #42	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3389.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #43	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3406.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #44	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3390.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #45	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3404.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #46	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3441.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #47	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3457.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #48	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3441.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #49	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3441.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #5	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3516.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #50	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3423.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #51	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3443.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #52	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3459.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #53	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3444.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #54	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	3426.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #55	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(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)O[Si](C)(C)C	3460.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #56	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3463.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #6	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3488.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #7	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3492.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #8	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3473.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],5TMS,isomer #9	CC1=CC(O[Si](C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3489.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #1	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4101.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #2	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4058.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #3	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4098.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #4	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4084.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #5	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4069.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #6	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4072.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #7	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4078.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],1TBDMS,isomer #8	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O	4064.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #1	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4177.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #10	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4166.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #11	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4175.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #12	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4164.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #13	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4151.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #14	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4163.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #15	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4194.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #16	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4201.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #17	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4187.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #18	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4178.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #19	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4161.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #2	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4207.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #20	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4195.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #21	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4195.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #22	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4184.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #23	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4137.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #24	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4168.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #25	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4191.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #26	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4140.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #27	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4175.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #28	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4201.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #3	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4181.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #4	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4239.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #5	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4212.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #6	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4205.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #7	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4191.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #8	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4134.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],2TBDMS,isomer #9	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4164.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #1	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4267.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #10	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4271.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #11	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4246.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #12	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4283.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #13	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4250.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #14	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4256.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #15	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4219.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #16	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4303.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #17	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4298.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #18	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4274.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #19	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4289.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #2	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4192.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #20	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4277.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #21	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4282.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #22	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4240.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #23	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4180.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #24	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4195.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #25	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4191.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #26	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4174.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #27	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4231.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #28	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4239.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #29	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4236.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #3	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4264.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #30	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4213.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #31	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4242.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #32	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4242.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #33	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4209.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #34	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4250.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #35	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4244.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #36	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4245.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #37	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4253.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #38	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4222.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #39	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4214.0	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #4	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4233.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #40	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4197.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #41	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4263.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #42	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4261.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #43	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4239.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #44	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4284.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #45	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4271.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #46	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4278.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #47	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4276.7	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #48	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4225.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #49	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4217.1	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #5	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4234.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #50	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4261.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #51	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4258.3	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #52	CC1=CC(O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(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	4281.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #53	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4260.9	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #54	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4217.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #55	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4256.4	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #56	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4249.2	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #6	CC1=CC(O[Si](C)(C)C(C)(C)C)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4210.5	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #7	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4247.8	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #8	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4297.6	Semi standard non polar	33892256
3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside],3TBDMS,isomer #9	CC1=CC(O)CC(C)(C)C1(/C=C/C(C)OC1OC(COC2OCC(CO)(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4268.1	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 - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-0zg0-9361670000-0d1e0f0b01981f7514ce	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] GC-MS (2 TMS) - 70eV, Positive	splash10-000t-2441119000-c552136078d0f3dfde43	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0pk9-0292360000-f20f9d525e9dd3213654	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0a6r-1391000000-a8bf55613b98078ffc3e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0a6r-6790000000-f8f556d84f1c0424047f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0699-0792560000-b8cf7ebb8a6a564498f9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-056r-0591210000-cbbc4f90b0a190383c93	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a6r-3790000000-023a27093310190661bb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-014i-0110190000-b6b63d3ea3ae7ebf2822	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-00xr-7935210000-066a852e35a6cd30d100	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0pdj-7951000000-1bc12cd2a6179b31acc8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0006-0962430000-9eeaa904437426cabc62	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0ab9-1797620000-068fbab83c6b797c1cae	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0pvi-9453000000-769a8ef65f00a7bb1f4e	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
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021568

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

131801688

PDB ID

Not Available

ChEBI ID

167960

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

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside] (HMDB0041577)

MOL for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D MOL for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D SDF for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D-SDF for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

PDB for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D PDB for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

SMILES for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

INCHI for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

Structure for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

3D Structure for HMDB0041577 (3b,6a-Dihydroxy-alpha-ionol 9-[apiosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra