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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:55:46 UTC

Update Date

2022-03-07 02:56:56 UTC

HMDB ID

HMDB0041258

Secondary Accession Numbers

HMDB41258

Metabolite Identification

Common Name

Homomangiferin

Description

Homomangiferin belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Homomangiferin has been detected, but not quantified in, fruits and mangos (Mangifera indica). This could make homomangiferin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Homomangiferin.

Structure

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

  Mrv0541 05061312312D          

 31 34  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24 15  2  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29  1  1  0  0  0  0
 29 10  1  0  0  0  0
 30  9  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  1  0  0  0  0
 31 20  1  0  0  0  0
M  END

HMDB0041258
     RDKit          3D
Homomangiferin
 51 54  0  0  0  0  0  0  0  0999 V2000
   -1.1485   -2.6196    2.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.4741    1.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3048   -0.7874    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -1.1648    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9818   -0.4163    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -0.8324    0.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.1695    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5035   -0.6578    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.0356   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8590   -0.4334    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3607    1.1412   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4471    1.8268   -1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0566    1.6100   -1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    0.9404   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    1.4111   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846    2.4115   -1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    0.6901   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221    1.0695   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    2.1688   -1.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012    0.3250    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    0.7179    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    0.2073    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674   -0.2881    0.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2200    0.6541    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1670    1.8003    0.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1675   -1.0358   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5116   -1.3109   -0.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007   -0.4240   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023   -1.3934   -2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661    0.8334   -1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052    0.7312   -2.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -3.5409    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -2.7084    3.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341   -2.7671    2.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -2.0227    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608   -1.5455    1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0092   -1.2811    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3765    1.4307   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    2.4907   -1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    2.8660   -1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315    1.8664    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2214   -1.0645    1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3618    0.9785    2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1985    0.1317    0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5435    2.4285    0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7061   -2.0661   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -2.2440   -0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829   -0.1722   -2.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541   -1.2144   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259    1.7253   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631    1.1420   -2.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 20  3  1  0
 30 21  1  0
 17  5  2  0
 14  7  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  8 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 19 40  1  0
 21 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
M  END

  Mrv0541 05061312312D          

 31 34  0  0  0  0            999 V2000
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21  5  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
 24 15  2  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
 28 19  1  0  0  0  0
 29  1  1  0  0  0  0
 29 10  1  0  0  0  0
 30  9  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  1  0  0  0  0
 31 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041258

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3

> <INCHI_KEY>
HDPSXKXQSOVYLL-UHFFFAOYSA-N

> <FORMULA>
C20H20O11

> <MOLECULAR_WEIGHT>
436.3662

> <EXACT_MASS>
436.100561482

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
42.091464839679105

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one

> <ALOGPS_LOGP>
0.01

> <JCHEM_LOGP>
-0.21604791533333292

> <ALOGPS_LOGS>
-2.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.160237924575481

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.533730110427244

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9791926276948697

> <JCHEM_POLAR_SURFACE_AREA>
186.36999999999995

> <JCHEM_REFRACTIVITY>
102.34049999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.98e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041258
     RDKit          3D
Homomangiferin
 51 54  0  0  0  0  0  0  0  0999 V2000
   -1.1485   -2.6196    2.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.4741    1.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3048   -0.7874    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -1.1648    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9818   -0.4163    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -0.8324    0.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.1695    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5035   -0.6578    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.0356   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8590   -0.4334    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3607    1.1412   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4471    1.8268   -1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0566    1.6100   -1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    0.9404   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    1.4111   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846    2.4115   -1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    0.6901   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221    1.0695   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    2.1688   -1.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012    0.3250    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    0.7179    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    0.2073    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674   -0.2881    0.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2200    0.6541    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1670    1.8003    0.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1675   -1.0358   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5116   -1.3109   -0.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007   -0.4240   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023   -1.3934   -2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661    0.8334   -1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052    0.7312   -2.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -3.5409    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -2.7084    3.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341   -2.7671    2.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -2.0227    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608   -1.5455    1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0092   -1.2811    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3765    1.4307   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    2.4907   -1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    2.8660   -1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315    1.8664    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2214   -1.0645    1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3618    0.9785    2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1985    0.1317    0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5435    2.4285    0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7061   -2.0661   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -2.2440   -0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829   -0.1722   -2.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541   -1.2144   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259    1.7253   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631    1.1420   -2.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 20  3  1  0
 30 21  1  0
 17  5  2  0
 14  7  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  8 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 19 40  1  0
 21 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1   29                                                            
CONECT    2    6    7                                                       
CONECT    3    8    9                                                       
CONECT    4   10   11                                                       
CONECT    5   12   21                                                       
CONECT    6    2    9   15                                                  
CONECT    7    2    8   22                                                  
CONECT    8    3    7   23                                                  
CONECT    9    3    6   30                                                  
CONECT   10    4   14   29                                                  
CONECT   11    4   13   30                                                  
CONECT   12    5   16   31                                                  
CONECT   13   11   15   17                                                  
CONECT   14   10   17   20                                                  
CONECT   15    6   13   24                                                  
CONECT   16   12   18   25                                                  
CONECT   17   13   14   26                                                  
CONECT   18   16   19   27                                                  
CONECT   19   18   20   28                                                  
CONECT   20   14   19   31                                                  
CONECT   21    5                                                            
CONECT   22    7                                                            
CONECT   23    8                                                            
CONECT   24   15                                                            
CONECT   25   16                                                            
CONECT   26   17                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29    1   10                                                       
CONECT   30    9   11                                                       
CONECT   31   12   20                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0041258
HETATM    1  C1  UNL     1      -1.148  -2.620   2.333  1.00  0.00           C  
HETATM    2  O1  UNL     1      -1.370  -1.474   1.565  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.305  -0.787   0.995  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.958  -1.165   1.157  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.982  -0.416   0.546  1.00  0.00           C  
HETATM    6  O2  UNL     1       3.214  -0.832   0.737  1.00  0.00           O  
HETATM    7  C5  UNL     1       4.229  -0.169   0.189  1.00  0.00           C  
HETATM    8  C6  UNL     1       5.504  -0.658   0.423  1.00  0.00           C  
HETATM    9  C7  UNL     1       6.563   0.036  -0.151  1.00  0.00           C  
HETATM   10  O3  UNL     1       7.859  -0.433   0.069  1.00  0.00           O  
HETATM   11  C8  UNL     1       6.361   1.141  -0.908  1.00  0.00           C  
HETATM   12  O4  UNL     1       7.447   1.827  -1.483  1.00  0.00           O  
HETATM   13  C9  UNL     1       5.057   1.610  -1.126  1.00  0.00           C  
HETATM   14  C10 UNL     1       3.977   0.940  -0.570  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.678   1.411  -0.795  1.00  0.00           C  
HETATM   16  O5  UNL     1       2.485   2.412  -1.483  1.00  0.00           O  
HETATM   17  C12 UNL     1       1.660   0.690  -0.207  1.00  0.00           C  
HETATM   18  C13 UNL     1       0.322   1.069  -0.364  1.00  0.00           C  
HETATM   19  O6  UNL     1       0.039   2.169  -1.104  1.00  0.00           O  
HETATM   20  C14 UNL     1      -0.701   0.325   0.242  1.00  0.00           C  
HETATM   21  C15 UNL     1      -2.119   0.718   0.214  1.00  0.00           C  
HETATM   22  O7  UNL     1      -2.821   0.207   1.222  1.00  0.00           O  
HETATM   23  C16 UNL     1      -4.067  -0.288   0.969  1.00  0.00           C  
HETATM   24  C17 UNL     1      -5.220   0.654   1.153  1.00  0.00           C  
HETATM   25  O8  UNL     1      -5.167   1.800   0.384  1.00  0.00           O  
HETATM   26  C18 UNL     1      -4.168  -1.036  -0.319  1.00  0.00           C  
HETATM   27  O9  UNL     1      -5.512  -1.311  -0.561  1.00  0.00           O  
HETATM   28  C19 UNL     1      -3.501  -0.424  -1.492  1.00  0.00           C  
HETATM   29  O10 UNL     1      -2.602  -1.393  -2.019  1.00  0.00           O  
HETATM   30  C20 UNL     1      -2.666   0.833  -1.161  1.00  0.00           C  
HETATM   31  O11 UNL     1      -1.605   0.731  -2.075  1.00  0.00           O  
HETATM   32  H1  UNL     1      -1.311  -3.541   1.683  1.00  0.00           H  
HETATM   33  H2  UNL     1      -1.816  -2.708   3.222  1.00  0.00           H  
HETATM   34  H3  UNL     1      -0.134  -2.767   2.727  1.00  0.00           H  
HETATM   35  H4  UNL     1       1.276  -2.023   1.716  1.00  0.00           H  
HETATM   36  H5  UNL     1       5.661  -1.546   1.032  1.00  0.00           H  
HETATM   37  H6  UNL     1       8.009  -1.281   0.642  1.00  0.00           H  
HETATM   38  H7  UNL     1       8.376   1.431  -1.285  1.00  0.00           H  
HETATM   39  H8  UNL     1       4.914   2.491  -1.724  1.00  0.00           H  
HETATM   40  H9  UNL     1       0.405   2.866  -1.617  1.00  0.00           H  
HETATM   41  H10 UNL     1      -2.032   1.866   0.515  1.00  0.00           H  
HETATM   42  H11 UNL     1      -4.221  -1.064   1.790  1.00  0.00           H  
HETATM   43  H12 UNL     1      -5.362   0.979   2.215  1.00  0.00           H  
HETATM   44  H13 UNL     1      -6.198   0.132   0.918  1.00  0.00           H  
HETATM   45  H14 UNL     1      -4.543   2.428   0.873  1.00  0.00           H  
HETATM   46  H15 UNL     1      -3.706  -2.066  -0.117  1.00  0.00           H  
HETATM   47  H16 UNL     1      -5.754  -2.244  -0.327  1.00  0.00           H  
HETATM   48  H17 UNL     1      -4.183  -0.172  -2.307  1.00  0.00           H  
HETATM   49  H18 UNL     1      -1.754  -1.214  -1.579  1.00  0.00           H  
HETATM   50  H19 UNL     1      -3.226   1.725  -1.431  1.00  0.00           H  
HETATM   51  H20 UNL     1      -1.763   1.142  -2.937  1.00  0.00           H  
CONECT    1    2   32   33   34
CONECT    2    3
CONECT    3    4    4   20
CONECT    4    5   35
CONECT    5    6   17   17
CONECT    6    7
CONECT    7    8    8   14
CONECT    8    9   36
CONECT    9   10   11   11
CONECT   10   37
CONECT   11   12   13
CONECT   12   38
CONECT   13   14   14   39
CONECT   14   15
CONECT   15   16   16   17
CONECT   17   18
CONECT   18   19   20   20
CONECT   19   40
CONECT   20   21
CONECT   21   22   30   41
CONECT   22   23
CONECT   23   24   26   42
CONECT   24   25   43   44
CONECT   25   45
CONECT   26   27   28   46
CONECT   27   47
CONECT   28   29   30   48
CONECT   29   49
CONECT   30   31   50
CONECT   31   51
END

HMDB0041258
     RDKit          3D
Homomangiferin
 51 54  0  0  0  0  0  0  0  0999 V2000
   -1.1485   -2.6196    2.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -1.4741    1.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3048   -0.7874    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -1.1648    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9818   -0.4163    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -0.8324    0.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.1695    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5035   -0.6578    0.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    0.0356   -0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8590   -0.4334    0.0693 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3607    1.1412   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4471    1.8268   -1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0566    1.6100   -1.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    0.9404   -0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777    1.4111   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846    2.4115   -1.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603    0.6901   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3221    1.0695   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393    2.1688   -1.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7012    0.3250    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187    0.7179    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8210    0.2073    1.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0674   -0.2881    0.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2200    0.6541    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1670    1.8003    0.3842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1675   -1.0358   -0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5116   -1.3109   -0.5615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007   -0.4240   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6023   -1.3934   -2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661    0.8334   -1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6052    0.7312   -2.0752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -3.5409    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -2.7084    3.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341   -2.7671    2.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761   -2.0227    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608   -1.5455    1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0092   -1.2811    0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3765    1.4307   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    2.4907   -1.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    2.8660   -1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315    1.8664    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2214   -1.0645    1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3618    0.9785    2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1985    0.1317    0.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5435    2.4285    0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7061   -2.0661   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7540   -2.2440   -0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1829   -0.1722   -2.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7541   -1.2144   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2259    1.7253   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7631    1.1420   -2.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 20  3  1  0
 30 21  1  0
 17  5  2  0
 14  7  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  8 36  1  0
 10 37  1  0
 12 38  1  0
 13 39  1  0
 19 40  1  0
 21 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
 27 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-O-Methylmangiferin	HMDB
Homomangiferin	MeSH

Chemical Formula

C₂₀H₂₀O₁₁

Average Molecular Weight

436.3662

Monoisotopic Molecular Weight

436.100561482

IUPAC Name

1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one

Traditional Name

1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

CAS Registry Number

21794-66-1

SMILES

COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1

InChI Identifier

InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3

InChI Key

HDPSXKXQSOVYLL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Xanthone
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
C-glycosyl compound
Chromone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Pyran
Monosaccharide
Oxane
Benzenoid
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Oxacycle
Dialkyl ether
Ether
Polyol
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Primary alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041258)
Cytoplasm (HMDB: HMDB0041258)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041258)

Source

Exogenous

Exogenous (HMDB: HMDB0041258)

Food

Food (HMDB: HMDB0041258)

Fruit

Tropical fruit

Mango (FooDB: FOOD00106)

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0041258)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0041258)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	255 - 257 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	126.8 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.98 g/L	ALOGPS
logP	0.01	ALOGPS
logP	-0.22	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	7.53	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	102.34 m³·mol⁻¹	ChemAxon
Polarizability	42.09 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	199.612	31661259
DarkChem	[M-H]-	191.774	31661259
DeepCCS	[M+H]+	202.09	30932474
DeepCCS	[M-H]-	199.7	30932474
DeepCCS	[M-2H]-	232.647	30932474
DeepCCS	[M+Na]+	209.151	30932474
AllCCS	[M+H]+	201.9	32859911
AllCCS	[M+H-H2O]+	199.3	32859911
AllCCS	[M+NH4]+	204.2	32859911
AllCCS	[M+Na]+	204.9	32859911
AllCCS	[M-H]-	200.7	32859911
AllCCS	[M+Na-2H]-	201.2	32859911
AllCCS	[M+HCOO]-	201.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Homomangiferin	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1	5039.7	Standard polar	33892256
Homomangiferin	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1	3656.6	Standard non polar	33892256
Homomangiferin	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1	4268.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Homomangiferin,1TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4141.7	Semi standard non polar	33892256
Homomangiferin,1TMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4131.3	Semi standard non polar	33892256
Homomangiferin,1TMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4136.7	Semi standard non polar	33892256
Homomangiferin,1TMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4146.4	Semi standard non polar	33892256
Homomangiferin,1TMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4125.0	Semi standard non polar	33892256
Homomangiferin,1TMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	4152.0	Semi standard non polar	33892256
Homomangiferin,1TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	4156.0	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	4036.8	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3991.2	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3984.7	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3955.7	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3961.3	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4003.9	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3981.1	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #16	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3958.4	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3967.2	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3999.1	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3964.0	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	4034.2	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3970.6	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	4032.9	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3967.6	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3972.3	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3973.8	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3982.8	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3993.3	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3992.3	Semi standard non polar	33892256
Homomangiferin,2TMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3991.1	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3916.4	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #10	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3843.8	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3832.6	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3833.0	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3863.6	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3848.4	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3854.1	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #16	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3901.3	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3837.3	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3832.1	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3804.8	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3819.7	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3840.9	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3830.8	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #22	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3808.7	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #23	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3893.4	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #24	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3883.8	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #25	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3871.9	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #26	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3893.3	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #27	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3842.4	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #28	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3809.2	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #29	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3849.0	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3810.5	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #30	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3810.9	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #31	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3920.6	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #32	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3883.8	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #33	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3827.2	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #34	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3833.1	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #35	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3893.9	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3834.5	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3817.0	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3821.0	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3811.1	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3835.9	Semi standard non polar	33892256
Homomangiferin,3TMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3819.0	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3759.7	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #10	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3720.0	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3686.9	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3755.7	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3676.6	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3724.0	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3711.5	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3720.8	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #17	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	3765.1	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #18	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3764.6	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #19	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3746.7	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3772.6	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #20	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3779.1	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3776.1	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #22	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3774.8	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #23	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3761.5	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #24	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3740.8	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #25	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3728.2	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #26	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3719.4	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #27	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3738.5	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #28	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3728.8	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #29	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3718.8	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3796.5	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #30	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3835.5	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #31	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3790.2	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #32	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3776.7	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #33	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3756.1	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #34	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3761.9	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #35	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3782.0	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3781.6	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3689.5	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3756.7	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3678.0	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3722.9	Semi standard non polar	33892256
Homomangiferin,4TMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3711.0	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3698.4	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #10	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3675.9	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3676.9	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3675.7	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3664.8	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3675.9	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	3723.5	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #16	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3727.6	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3728.6	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3718.0	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3701.8	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3741.0	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3696.8	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3752.5	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3691.2	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3717.0	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3725.3	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3719.8	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3681.9	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3681.0	Semi standard non polar	33892256
Homomangiferin,5TMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3670.3	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3673.4	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3691.4	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3669.5	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3673.7	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O2	3665.3	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O2	3657.5	Semi standard non polar	33892256
Homomangiferin,6TMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C1O2	3705.7	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4410.6	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #2	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4381.7	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #3	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4414.4	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #4	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4431.3	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #5	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4418.2	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #6	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4384.2	Semi standard non polar	33892256
Homomangiferin,1TBDMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4380.2	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4520.0	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #10	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4478.5	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #11	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4467.8	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #12	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4450.2	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #13	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4452.5	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #14	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4479.0	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #15	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4478.7	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #16	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4468.5	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4467.5	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4487.8	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4468.9	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4519.1	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4471.9	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4495.6	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4470.1	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4470.2	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4489.6	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4492.2	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #7	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4461.1	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #8	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4468.4	Semi standard non polar	33892256
Homomangiferin,2TBDMS,isomer #9	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4460.1	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4643.3	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #10	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4530.5	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4559.2	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4537.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4535.8	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4547.2	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4545.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #16	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4585.9	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #17	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4533.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #18	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4570.7	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #19	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4533.0	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4554.5	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #20	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4536.7	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4571.4	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #22	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4536.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #23	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4553.1	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #24	COC1=CC2=C(C(O)=C1C1OC(CO[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)C(=O)C1=CC(O)=C(O)C=C1O2	4562.8	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #25	COC1=CC2=C(C(O)=C1C1OC(CO[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)C(=O)C1=CC(O)=C(O)C=C1O2	4550.7	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #26	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4564.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #27	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4544.8	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #28	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4536.1	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #29	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4546.7	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4570.7	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #30	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4540.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #31	COC1=CC2=C(C(O)=C1C1OC(CO)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)C(=O)C1=CC(O)=C(O)C=C1O2	4554.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #32	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4576.0	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #33	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4546.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #34	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4549.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #35	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4587.0	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4597.4	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4581.7	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4561.1	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4575.5	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4599.6	Semi standard non polar	33892256
Homomangiferin,3TBDMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4587.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #1	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4643.2	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #10	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4649.6	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #11	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4604.8	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #12	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4680.7	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #13	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4595.6	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #14	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4647.0	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #15	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4645.1	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #16	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4650.2	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #17	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O2	4607.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #18	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[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)C(=O)C1=CC(O)=C(O)C=C1O2	4614.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #19	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[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)C(=O)C1=CC(O)=C(O)C=C1O2	4597.7	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #2	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4657.4	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #20	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)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)C(=O)C1=CC(O)=C(O)C=C1O2	4597.4	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #21	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4659.9	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #22	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4707.8	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #23	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4662.4	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #24	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4665.9	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #25	COC1=CC2=C(C(O)=C1C1OC(CO[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)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4657.6	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #26	COC1=CC2=C(C(O)=C1C1OC(CO[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)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4653.6	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #27	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4661.2	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #28	COC1=CC2=C(C(O)=C1C1OC(CO[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)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4655.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #29	COC1=CC2=C(C(O)=C1C1OC(CO[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)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4648.8	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #3	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4692.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #30	COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O2	4638.3	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #31	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4669.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #32	COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4667.1	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #33	COC1=CC2=C(C(O)=C1C1OC(CO)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)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4648.5	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #34	COC1=CC2=C(C(O)=C1C1OC(CO)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)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C=C1O2	4648.0	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #35	COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4669.6	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #4	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4669.1	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #5	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4609.1	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #6	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4684.2	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #7	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4599.6	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #8	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4648.2	Semi standard non polar	33892256
Homomangiferin,4TBDMS,isomer #9	COC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1C1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C=C1O2	4647.6	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 - Homomangiferin GC-MS (Non-derivatized) - 70eV, Positive	splash10-05br-5149400000-e6c48c4cf1f78db71437	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (3 TMS) - 70eV, Positive	splash10-01w3-2100095000-3632ff019ed82ce1fe49	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_3_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_19) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_13) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_14) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_2_18) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_31) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_34) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-10-12	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 - Homomangiferin 10V, Positive-QTOF	splash10-00kr-0000900000-3b3b064bc02f79dd03db	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 20V, Positive-QTOF	splash10-014u-3212900000-4e09af9955c7ba686feb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 40V, Positive-QTOF	splash10-0kh3-3195100000-13243bdf820cb97ab190	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 10V, Negative-QTOF	splash10-000i-0001900000-e68397ac617f3700f9f7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 20V, Negative-QTOF	splash10-01bi-6347900000-7fc27279d62aff6903fe	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 40V, Negative-QTOF	splash10-052f-9367100000-19b3da2d8ef704942ba0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 10V, Positive-QTOF	splash10-000i-0000900000-2613b11f200355714fb6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 20V, Positive-QTOF	splash10-000i-0194400000-515030750ab79ae9497c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 40V, Positive-QTOF	splash10-000i-4291000000-1f017b1f34b565b7e637	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 10V, Negative-QTOF	splash10-000i-0001900000-07b88fe36406fba2deca	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 20V, Negative-QTOF	splash10-00n0-1059200000-02dfc1db8cf4b491ffdd	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Homomangiferin 40V, Negative-QTOF	splash10-0a4i-4293400000-106e4cd75e44eaa943df	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021166

KNApSAcK ID

C00053320

Chemspider ID

35015141

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12310472

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1890901

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Homomangiferin (HMDB0041258)

MOL for HMDB0041258 (Homomangiferin)

3D MOL for HMDB0041258 (Homomangiferin)

3D SDF for HMDB0041258 (Homomangiferin)

3D-SDF for HMDB0041258 (Homomangiferin)

PDB for HMDB0041258 (Homomangiferin)

3D PDB for HMDB0041258 (Homomangiferin)

SMILES for HMDB0041258 (Homomangiferin)

INCHI for HMDB0041258 (Homomangiferin)

Structure for HMDB0041258 (Homomangiferin)

3D Structure for HMDB0041258 (Homomangiferin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra