Hmdb loader

Showing metabocard for Homomangiferin (HMDB0041258)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:55:46 UTC
Update Date2022-03-07 02:56:56 UTC
HMDB IDHMDB0041258
Secondary Accession Numbers
  • HMDB41258
Metabolite Identification
Common NameHomomangiferin
DescriptionHomomangiferin 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
Data?1563863643
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041258 (Homomangiferin)


  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
Download

3D MOL for HMDB0041258 (Homomangiferin)

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
Download

3D SDF for HMDB0041258 (Homomangiferin)


  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

$$$$
Download

3D-SDF for HMDB0041258 (Homomangiferin)

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
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PDB for HMDB0041258 (Homomangiferin)

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
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3D PDB for HMDB0041258 (Homomangiferin)

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
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SMILES for HMDB0041258 (Homomangiferin)

COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C1
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INCHI for HMDB0041258 (Homomangiferin)

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
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-O-MethylmangiferinHMDB
HomomangiferinMeSH
Chemical FormulaC20H20O11
Average Molecular Weight436.3662
Monoisotopic Molecular Weight436.100561482
IUPAC Name1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one
Traditional Name1,6,7-trihydroxy-3-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
CAS Registry Number21794-66-1
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 KeyHDPSXKXQSOVYLL-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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct ParentXanthones
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 FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point255 - 257 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility126.8 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.98 g/LALOGPS
logP0.01ALOGPS
logP-0.22ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)7.53ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area186.37 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity102.34 m³·mol⁻¹ChemAxon
Polarizability42.09 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+199.61231661259
DarkChem[M-H]-191.77431661259
DeepCCS[M+H]+202.0930932474
DeepCCS[M-H]-199.730932474
DeepCCS[M-2H]-232.64730932474
DeepCCS[M+Na]+209.15130932474
AllCCS[M+H]+201.932859911
AllCCS[M+H-H2O]+199.332859911
AllCCS[M+NH4]+204.232859911
AllCCS[M+Na]+204.932859911
AllCCS[M-H]-200.732859911
AllCCS[M+Na-2H]-201.232859911
AllCCS[M+HCOO]-201.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
HomomangiferinCOC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C15039.7Standard polar33892256
HomomangiferinCOC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C13656.6Standard non polar33892256
HomomangiferinCOC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=C(O2)C=C(O)C(O)=C14268.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Homomangiferin,1TMS,isomer #1COC1=CC2=C(C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O24141.7Semi standard non polar33892256
Homomangiferin,1TMS,isomer #2COC1=CC2=C(C(O)=C1C1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O24131.3Semi standard non polar33892256
Homomangiferin,1TMS,isomer #3COC1=CC2=C(C(O)=C1C1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(=O)C1=CC(O)=C(O)C=C1O24136.7Semi standard non polar33892256
Homomangiferin,1TMS,isomer #4COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(=O)C1=CC(O)=C(O)C=C1O24146.4Semi standard non polar33892256
Homomangiferin,1TMS,isomer #5COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(=O)C1=CC(O)=C(O)C=C1O24125.0Semi standard non polar33892256
Homomangiferin,1TMS,isomer #6COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O)=C(O[Si](C)(C)C)C=C1O24152.0Semi standard non polar33892256
Homomangiferin,1TMS,isomer #7COC1=CC2=C(C(O)=C1C1OC(CO)C(O)C(O)C1O)C(=O)C1=CC(O[Si](C)(C)C)=C(O)C=C1O24156.0Semi standard non polar33892256
Homomangiferin,2TMS,isomer #1COC1=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=C1O24036.8Semi standard non polar33892256
Homomangiferin,2TMS,isomer #10COC1=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=C1O23991.2Semi standard non polar33892256
Homomangiferin,2TMS,isomer #11COC1=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=C1O23984.7Semi standard non polar33892256
Homomangiferin,2TMS,isomer #12COC1=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=C1O23955.7Semi standard non polar33892256
Homomangiferin,2TMS,isomer #13COC1=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=C1O23961.3Semi standard non polar33892256
Homomangiferin,2TMS,isomer #14COC1=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=C1O24003.9Semi standard non polar33892256
Homomangiferin,2TMS,isomer #15COC1=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=C1O23981.1Semi standard non polar33892256
Homomangiferin,2TMS,isomer #16COC1=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=C1O23958.4Semi standard non polar33892256
Homomangiferin,2TMS,isomer #17COC1=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=C1O23967.2Semi standard non polar33892256
Homomangiferin,2TMS,isomer #18COC1=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=C1O23999.1Semi standard non polar33892256
Homomangiferin,2TMS,isomer #19COC1=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=C1O23964.0Semi standard non polar33892256
Homomangiferin,2TMS,isomer #2COC1=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=C1O24034.2Semi standard non polar33892256
Homomangiferin,2TMS,isomer #20COC1=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=C1O23970.6Semi standard non polar33892256
Homomangiferin,2TMS,isomer #21COC1=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=C1O24032.9Semi standard non polar33892256
Homomangiferin,2TMS,isomer #3COC1=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=C1O23967.6Semi standard non polar33892256
Homomangiferin,2TMS,isomer #4COC1=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=C1O23972.3Semi standard non polar33892256
Homomangiferin,2TMS,isomer #5COC1=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=C1O23973.8Semi standard non polar33892256
Homomangiferin,2TMS,isomer #6COC1=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=C1O23982.8Semi standard non polar33892256
Homomangiferin,2TMS,isomer #7COC1=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=C1O23993.3Semi standard non polar33892256
Homomangiferin,2TMS,isomer #8COC1=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=C1O23992.3Semi standard non polar33892256
Homomangiferin,2TMS,isomer #9COC1=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=C1O23991.1Semi standard non polar33892256
Homomangiferin,3TMS,isomer #1COC1=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=C1O23916.4Semi standard non polar33892256
Homomangiferin,3TMS,isomer #10COC1=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=C1O23843.8Semi standard non polar33892256
Homomangiferin,3TMS,isomer #11COC1=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=C1O23832.6Semi standard non polar33892256
Homomangiferin,3TMS,isomer #12COC1=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=C1O23833.0Semi standard non polar33892256
Homomangiferin,3TMS,isomer #13COC1=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=C1O23863.6Semi standard non polar33892256
Homomangiferin,3TMS,isomer #14COC1=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=C1O23848.4Semi standard non polar33892256
Homomangiferin,3TMS,isomer #15COC1=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=C1O23854.1Semi standard non polar33892256
Homomangiferin,3TMS,isomer #16COC1=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=C1O23901.3Semi standard non polar33892256
Homomangiferin,3TMS,isomer #17COC1=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=C1O23837.3Semi standard non polar33892256
Homomangiferin,3TMS,isomer #18COC1=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=C1O23832.1Semi standard non polar33892256
Homomangiferin,3TMS,isomer #19COC1=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=C1O23804.8Semi standard non polar33892256
Homomangiferin,3TMS,isomer #2COC1=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=C1O23819.7Semi standard non polar33892256
Homomangiferin,3TMS,isomer #20COC1=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=C1O23840.9Semi standard non polar33892256
Homomangiferin,3TMS,isomer #21COC1=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=C1O23830.8Semi standard non polar33892256
Homomangiferin,3TMS,isomer #22COC1=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=C1O23808.7Semi standard non polar33892256
Homomangiferin,3TMS,isomer #23COC1=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=C1O23893.4Semi standard non polar33892256
Homomangiferin,3TMS,isomer #24COC1=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=C1O23883.8Semi standard non polar33892256
Homomangiferin,3TMS,isomer #25COC1=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=C1O23871.9Semi standard non polar33892256
Homomangiferin,3TMS,isomer #26COC1=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=C1O23893.3Semi standard non polar33892256
Homomangiferin,3TMS,isomer #27COC1=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=C1O23842.4Semi standard non polar33892256
Homomangiferin,3TMS,isomer #28COC1=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=C1O23809.2Semi standard non polar33892256
Homomangiferin,3TMS,isomer #29COC1=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=C1O23849.0Semi standard non polar33892256
Homomangiferin,3TMS,isomer #3COC1=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=C1O23810.5Semi standard non polar33892256
Homomangiferin,3TMS,isomer #30COC1=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=C1O23810.9Semi standard non polar33892256
Homomangiferin,3TMS,isomer #31COC1=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=C1O23920.6Semi standard non polar33892256
Homomangiferin,3TMS,isomer #32COC1=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=C1O23883.8Semi standard non polar33892256
Homomangiferin,3TMS,isomer #33COC1=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=C1O23827.2Semi standard non polar33892256
Homomangiferin,3TMS,isomer #34COC1=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=C1O23833.1Semi standard non polar33892256
Homomangiferin,3TMS,isomer #35COC1=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=C1O23893.9Semi standard non polar33892256
Homomangiferin,3TMS,isomer #4COC1=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=C1O23834.5Semi standard non polar33892256
Homomangiferin,3TMS,isomer #5COC1=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=C1O23817.0Semi standard non polar33892256
Homomangiferin,3TMS,isomer #6COC1=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=C1O23821.0Semi standard non polar33892256
Homomangiferin,3TMS,isomer #7COC1=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=C1O23811.1Semi standard non polar33892256
Homomangiferin,3TMS,isomer #8COC1=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=C1O23835.9Semi standard non polar33892256
Homomangiferin,3TMS,isomer #9COC1=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=C1O23819.0Semi standard non polar33892256
Homomangiferin,4TMS,isomer #1COC1=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=C1O23759.7Semi standard non polar33892256
Homomangiferin,4TMS,isomer #10COC1=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=C1O23720.0Semi standard non polar33892256
Homomangiferin,4TMS,isomer #11COC1=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=C1O23686.9Semi standard non polar33892256
Homomangiferin,4TMS,isomer #12COC1=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=C1O23755.7Semi standard non polar33892256
Homomangiferin,4TMS,isomer #13COC1=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=C1O23676.6Semi standard non polar33892256
Homomangiferin,4TMS,isomer #14COC1=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=C1O23724.0Semi standard non polar33892256
Homomangiferin,4TMS,isomer #15COC1=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=C1O23711.5Semi standard non polar33892256
Homomangiferin,4TMS,isomer #16COC1=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=C1O23720.8Semi standard non polar33892256
Homomangiferin,4TMS,isomer #17COC1=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=C1O23765.1Semi standard non polar33892256
Homomangiferin,4TMS,isomer #18COC1=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=C1O23764.6Semi standard non polar33892256
Homomangiferin,4TMS,isomer #19COC1=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=C1O23746.7Semi standard non polar33892256
Homomangiferin,4TMS,isomer #2COC1=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=C1O23772.6Semi standard non polar33892256
Homomangiferin,4TMS,isomer #20COC1=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=C1O23779.1Semi standard non polar33892256
Homomangiferin,4TMS,isomer #21COC1=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=C1O23776.1Semi standard non polar33892256
Homomangiferin,4TMS,isomer #22COC1=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=C1O23774.8Semi standard non polar33892256
Homomangiferin,4TMS,isomer #23COC1=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=C1O23761.5Semi standard non polar33892256
Homomangiferin,4TMS,isomer #24COC1=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=C1O23740.8Semi standard non polar33892256
Homomangiferin,4TMS,isomer #25COC1=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=C1O23728.2Semi standard non polar33892256
Homomangiferin,4TMS,isomer #26COC1=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=C1O23719.4Semi standard non polar33892256
Homomangiferin,4TMS,isomer #27COC1=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=C1O23738.5Semi standard non polar33892256
Homomangiferin,4TMS,isomer #28COC1=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=C1O23728.8Semi standard non polar33892256
Homomangiferin,4TMS,isomer #29COC1=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=C1O23718.8Semi standard non polar33892256
Homomangiferin,4TMS,isomer #3COC1=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=C1O23796.5Semi standard non polar33892256
Homomangiferin,4TMS,isomer #30COC1=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=C1O23835.5Semi standard non polar33892256
Homomangiferin,4TMS,isomer #31COC1=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=C1O23790.2Semi standard non polar33892256
Homomangiferin,4TMS,isomer #32COC1=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=C1O23776.7Semi standard non polar33892256
Homomangiferin,4TMS,isomer #33COC1=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=C1O23756.1Semi standard non polar33892256
Homomangiferin,4TMS,isomer #34COC1=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=C1O23761.9Semi standard non polar33892256
Homomangiferin,4TMS,isomer #35COC1=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=C1O23782.0Semi standard non polar33892256
Homomangiferin,4TMS,isomer #4COC1=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=C1O23781.6Semi standard non polar33892256
Homomangiferin,4TMS,isomer #5COC1=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=C1O23689.5Semi standard non polar33892256
Homomangiferin,4TMS,isomer #6COC1=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=C1O23756.7Semi standard non polar33892256
Homomangiferin,4TMS,isomer #7COC1=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=C1O23678.0Semi standard non polar33892256
Homomangiferin,4TMS,isomer #8COC1=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=C1O23722.9Semi standard non polar33892256
Homomangiferin,4TMS,isomer #9COC1=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=C1O23711.0Semi standard non polar33892256
Homomangiferin,5TMS,isomer #1COC1=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=C1O23698.4Semi standard non polar33892256
Homomangiferin,5TMS,isomer #10COC1=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=C1O23675.9Semi standard non polar33892256
Homomangiferin,5TMS,isomer #11COC1=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=C1O23676.9Semi standard non polar33892256
Homomangiferin,5TMS,isomer #12COC1=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=C1O23675.7Semi standard non polar33892256
Homomangiferin,5TMS,isomer #13COC1=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=C1O23664.8Semi standard non polar33892256
Homomangiferin,5TMS,isomer #14COC1=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=C1O23675.9Semi standard non polar33892256
Homomangiferin,5TMS,isomer #15COC1=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=C1O23723.5Semi standard non polar33892256
Homomangiferin,5TMS,isomer #16COC1=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=C1O23727.6Semi standard non polar33892256
Homomangiferin,5TMS,isomer #17COC1=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=C1O23728.6Semi standard non polar33892256
Homomangiferin,5TMS,isomer #18COC1=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=C1O23718.0Semi standard non polar33892256
Homomangiferin,5TMS,isomer #19COC1=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=C1O23701.8Semi standard non polar33892256
Homomangiferin,5TMS,isomer #2COC1=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=C1O23741.0Semi standard non polar33892256
Homomangiferin,5TMS,isomer #20COC1=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=C1O23696.8Semi standard non polar33892256
Homomangiferin,5TMS,isomer #21COC1=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=C1O23752.5Semi standard non polar33892256
Homomangiferin,5TMS,isomer #3COC1=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=C1O23691.2Semi standard non polar33892256
Homomangiferin,5TMS,isomer #4COC1=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=C1O23717.0Semi standard non polar33892256
Homomangiferin,5TMS,isomer #5COC1=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=C1O23725.3Semi standard non polar33892256
Homomangiferin,5TMS,isomer #6COC1=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=C1O23719.8Semi standard non polar33892256
Homomangiferin,5TMS,isomer #7COC1=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=C1O23681.9Semi standard non polar33892256
Homomangiferin,5TMS,isomer #8COC1=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=C1O23681.0Semi standard non polar33892256
Homomangiferin,5TMS,isomer #9COC1=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=C1O23670.3Semi standard non polar33892256
Homomangiferin,6TMS,isomer #1COC1=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=C1O23673.4Semi standard non polar33892256
Homomangiferin,6TMS,isomer #2COC1=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=C1O23691.4Semi standard non polar33892256
Homomangiferin,6TMS,isomer #3COC1=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=C1O23669.5Semi standard non polar33892256
Homomangiferin,6TMS,isomer #4COC1=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=C1O23673.7Semi standard non polar33892256
Homomangiferin,6TMS,isomer #5COC1=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=C1O23665.3Semi standard non polar33892256
Homomangiferin,6TMS,isomer #6COC1=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=C1O23657.5Semi standard non polar33892256
Homomangiferin,6TMS,isomer #7COC1=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=C1O23705.7Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #1COC1=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=C1O24410.6Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #2COC1=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=C1O24381.7Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #3COC1=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=C1O24414.4Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #4COC1=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=C1O24431.3Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #5COC1=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=C1O24418.2Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #6COC1=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=C1O24384.2Semi standard non polar33892256
Homomangiferin,1TBDMS,isomer #7COC1=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=C1O24380.2Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #1COC1=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=C1O24520.0Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #10COC1=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=C1O24478.5Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #11COC1=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=C1O24467.8Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #12COC1=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=C1O24450.2Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #13COC1=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=C1O24452.5Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #14COC1=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=C1O24479.0Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #15COC1=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=C1O24478.7Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #16COC1=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=C1O24468.5Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #17COC1=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=C1O24467.5Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #18COC1=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=C1O24487.8Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #19COC1=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=C1O24468.9Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #2COC1=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=C1O24519.1Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #20COC1=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=C1O24471.9Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #21COC1=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=C1O24495.6Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #3COC1=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=C1O24470.1Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #4COC1=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=C1O24470.2Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #5COC1=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=C1O24489.6Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #6COC1=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=C1O24492.2Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #7COC1=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=C1O24461.1Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #8COC1=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=C1O24468.4Semi standard non polar33892256
Homomangiferin,2TBDMS,isomer #9COC1=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=C1O24460.1Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #1COC1=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=C1O24643.3Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #10COC1=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=C1O24530.5Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #11COC1=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=C1O24559.2Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #12COC1=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=C1O24537.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #13COC1=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=C1O24535.8Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #14COC1=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=C1O24547.2Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #15COC1=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=C1O24545.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #16COC1=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=C1O24585.9Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #17COC1=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=C1O24533.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #18COC1=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=C1O24570.7Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #19COC1=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=C1O24533.0Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #2COC1=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=C1O24554.5Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #20COC1=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=C1O24536.7Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #21COC1=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=C1O24571.4Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #22COC1=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=C1O24536.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #23COC1=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=C1O24553.1Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #24COC1=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=C1O24562.8Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #25COC1=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=C1O24550.7Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #26COC1=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=C1O24564.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #27COC1=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=C1O24544.8Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #28COC1=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=C1O24536.1Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #29COC1=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=C1O24546.7Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #3COC1=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=C1O24570.7Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #30COC1=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=C1O24540.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #31COC1=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=C1O24554.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #32COC1=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=C1O24576.0Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #33COC1=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=C1O24546.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #34COC1=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=C1O24549.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #35COC1=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=C1O24587.0Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #4COC1=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=C1O24597.4Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #5COC1=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=C1O24581.7Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #6COC1=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=C1O24561.1Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #7COC1=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=C1O24575.5Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #8COC1=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=C1O24599.6Semi standard non polar33892256
Homomangiferin,3TBDMS,isomer #9COC1=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=C1O24587.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #1COC1=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=C1O24643.2Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #10COC1=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=C1O24649.6Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #11COC1=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=C1O24604.8Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #12COC1=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=C1O24680.7Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #13COC1=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=C1O24595.6Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #14COC1=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=C1O24647.0Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #15COC1=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=C1O24645.1Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #16COC1=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=C1O24650.2Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #17COC1=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=C1O24607.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #18COC1=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=C1O24614.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #19COC1=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=C1O24597.7Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #2COC1=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=C1O24657.4Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #20COC1=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=C1O24597.4Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #21COC1=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=C1O24659.9Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #22COC1=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=C1O24707.8Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #23COC1=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=C1O24662.4Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #24COC1=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=C1O24665.9Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #25COC1=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=C1O24657.6Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #26COC1=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=C1O24653.6Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #27COC1=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=C1O24661.2Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #28COC1=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=C1O24655.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #29COC1=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=C1O24648.8Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #3COC1=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=C1O24692.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #30COC1=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=C1O24638.3Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #31COC1=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=C1O24669.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #32COC1=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=C1O24667.1Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #33COC1=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=C1O24648.5Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #34COC1=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=C1O24648.0Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #35COC1=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=C1O24669.6Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #4COC1=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=C1O24669.1Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #5COC1=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=C1O24609.1Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #6COC1=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=C1O24684.2Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #7COC1=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=C1O24599.6Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #8COC1=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=C1O24648.2Semi standard non polar33892256
Homomangiferin,4TBDMS,isomer #9COC1=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=C1O24647.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (Non-derivatized) - 70eV, Positivesplash10-05br-5149400000-e6c48c4cf1f78db714372017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (3 TMS) - 70eV, Positivesplash10-01w3-2100095000-3632ff019ed82ce1fe492017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_3_15) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_19) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_4_20) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_9) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_14) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_5_15) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TMS_6_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_2_18) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_15) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_25) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_31) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_33) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_3_34) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homomangiferin GC-MS (TBDMS_4_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 10V, Positive-QTOFsplash10-00kr-0000900000-3b3b064bc02f79dd03db2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 20V, Positive-QTOFsplash10-014u-3212900000-4e09af9955c7ba686feb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 40V, Positive-QTOFsplash10-0kh3-3195100000-13243bdf820cb97ab1902017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 10V, Negative-QTOFsplash10-000i-0001900000-e68397ac617f3700f9f72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 20V, Negative-QTOFsplash10-01bi-6347900000-7fc27279d62aff6903fe2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 40V, Negative-QTOFsplash10-052f-9367100000-19b3da2d8ef704942ba02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 10V, Positive-QTOFsplash10-000i-0000900000-2613b11f200355714fb62021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 20V, Positive-QTOFsplash10-000i-0194400000-515030750ab79ae9497c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 40V, Positive-QTOFsplash10-000i-4291000000-1f017b1f34b565b7e6372021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 10V, Negative-QTOFsplash10-000i-0001900000-07b88fe36406fba2deca2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 20V, Negative-QTOFsplash10-00n0-1059200000-02dfc1db8cf4b491ffdd2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homomangiferin 40V, Negative-QTOFsplash10-0a4i-4293400000-106e4cd75e44eaa943df2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021166
KNApSAcK IDC00053320
Chemspider ID35015141
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12310472
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1890901
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .