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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:07:18 UTC

Update Date

2022-03-07 02:56:38 UTC

HMDB ID

HMDB0040559

Secondary Accession Numbers

HMDB40559

Metabolite Identification

Common Name

Aromadendrin 3,7-diglucoside

Description

Aromadendrin 3,7-diglucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Aromadendrin 3,7-diglucoside has been detected, but not quantified in, pulses. This could make aromadendrin 3,7-diglucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Aromadendrin 3,7-diglucoside.

Structure

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

  Mrv0541 05061311562D          

 43 47  0  0  0  0            999 V2000
    3.5724   -0.4125    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
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 42 15  1  0  0  0  0
 42 27  1  0  0  0  0
 43 25  1  0  0  0  0
 43 27  1  0  0  0  0
M  END

HMDB0040559
     RDKit          3D
Aromadendrin 3,7-diglucoside
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 43 75  1  0
M  END

  Mrv0541 05061311562D          

 43 47  0  0  0  0            999 V2000
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    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -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
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    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
    1.4289    0.0000    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   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  9  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30 10  1  0  0  0  0
 31 12  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  2  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 11  1  0  0  0  0
 39 26  1  0  0  0  0
 40 13  1  0  0  0  0
 40 24  1  0  0  0  0
 41 14  1  0  0  0  0
 41 26  1  0  0  0  0
 42 15  1  0  0  0  0
 42 27  1  0  0  0  0
 43 25  1  0  0  0  0
 43 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040559

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2

> <INCHI_KEY>
LYZCSBKUDSHVOD-UHFFFAOYSA-N

> <FORMULA>
C27H32O16

> <MOLECULAR_WEIGHT>
612.5334

> <EXACT_MASS>
612.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
58.15873253100759

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-1.06

> <JCHEM_LOGP>
-1.9189541493333326

> <ALOGPS_LOGS>
-1.82

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.905356241852418

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.272096865374506

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483778415433896

> <JCHEM_POLAR_SURFACE_AREA>
265.52

> <JCHEM_REFRACTIVITY>
137.18569999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.18e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040559
     RDKit          3D
Aromadendrin 3,7-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -1.6143   -2.5459   -1.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1222   -1.4258   -1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2618   -1.3055   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1426   -2.3652   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -3.6174   -1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -2.2074   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344   -0.9775    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2490   -0.8700    0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    0.2765    0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0066    0.5889    0.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460   -0.6207   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6453   -0.3620   -1.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6134    0.4103   -0.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690   -1.3884    0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -2.5975    0.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349   -0.5450    2.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7545    0.5758    1.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5225   -0.0630    2.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494    1.0178    3.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478    0.0736    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261   -0.0626   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    0.9712   -0.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335    0.9833   -1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524    2.2511   -1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    2.8447   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9476    4.0622   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301    4.6772   -1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256    5.9008   -1.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285    4.0878   -2.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3454    2.8855   -2.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -0.2532   -1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.2687   -0.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3149   -0.4407   -0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7176   -1.7196   -0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1717   -1.8814    0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9887   -3.1704    0.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2158   -4.2942    0.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9217   -0.7630    1.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2605   -0.8534    0.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4396    0.6064    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714    0.7701    1.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3286    0.5846   -0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1246    1.8026   -1.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -3.9868   -1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721   -3.0534   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049    1.1879    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7363   -1.1781   -0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511    0.1661   -2.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1127   -1.3160   -1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4787   -0.0596   -0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1455   -1.6471    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9988   -3.2842    1.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -1.1394    2.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2356    1.4150    1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473   -0.8928    2.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1636    1.8213    2.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728    1.0585    0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702    0.9890   -2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    2.3947    0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924    4.5393    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025    6.7872   -1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362    4.5842   -3.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212    2.4433   -3.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439   -0.3385   -2.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239   -0.4903   -2.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2631   -2.0600    1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3127   -3.2935    1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8461   -3.1863    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2996   -5.0017    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9293   -0.8070    2.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7534   -0.0433    1.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0865    1.4140    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0204    0.2265    2.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3157    0.2163   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4270    1.7624   -2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 23 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 31  2  1  0
 42 33  1  0
 21  3  1  0
 30 24  1  0
 18  9  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 28 61  1  0
 29 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 36 67  1  0
 36 68  1  0
 37 69  1  0
 38 70  1  0
 39 71  1  0
 40 72  1  0
 41 73  1  0
 42 74  1  0
 43 75  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       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   10                                                       
CONECT    5   11   12                                                       
CONECT    6   11   13                                                       
CONECT    7   14   28                                                       
CONECT    8   15   29                                                       
CONECT    9    1    2   24                                                  
CONECT   10    3    4   30                                                  
CONECT   11    5    6   39                                                  
CONECT   12    5   16   31                                                  
CONECT   13    6   16   40                                                  
CONECT   14    7   17   41                                                  
CONECT   15    8   18   42                                                  
CONECT   16   12   13   19                                                  
CONECT   17   14   20   32                                                  
CONECT   18   15   21   33                                                  
CONECT   19   16   25   34                                                  
CONECT   20   17   22   35                                                  
CONECT   21   18   23   36                                                  
CONECT   22   20   26   37                                                  
CONECT   23   21   27   38                                                  
CONECT   24    9   25   40                                                  
CONECT   25   19   24   43                                                  
CONECT   26   22   39   41                                                  
CONECT   27   23   42   43                                                  
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30   10                                                            
CONECT   31   12                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   11   26                                                       
CONECT   40   13   24                                                       
CONECT   41   14   26                                                       
CONECT   42   15   27                                                       
CONECT   43   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0040559
HETATM    1  O1  UNL     1      -1.614  -2.546  -1.420  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.122  -1.426  -1.183  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.262  -1.306  -0.774  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.143  -2.365  -0.773  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.802  -3.617  -1.156  1.00  0.00           O  
HETATM    6  C4  UNL     1       2.478  -2.207  -0.366  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.934  -0.978   0.043  1.00  0.00           C  
HETATM    8  O3  UNL     1       4.249  -0.870   0.433  1.00  0.00           O  
HETATM    9  C6  UNL     1       4.910   0.277   0.879  1.00  0.00           C  
HETATM   10  O4  UNL     1       6.007   0.589   0.043  1.00  0.00           O  
HETATM   11  C7  UNL     1       6.546  -0.621  -0.371  1.00  0.00           C  
HETATM   12  C8  UNL     1       7.645  -0.362  -1.387  1.00  0.00           C  
HETATM   13  O5  UNL     1       8.613   0.410  -0.776  1.00  0.00           O  
HETATM   14  C9  UNL     1       7.069  -1.388   0.815  1.00  0.00           C  
HETATM   15  O6  UNL     1       6.397  -2.597   0.995  1.00  0.00           O  
HETATM   16  C10 UNL     1       6.935  -0.545   2.050  1.00  0.00           C  
HETATM   17  O7  UNL     1       7.754   0.576   1.934  1.00  0.00           O  
HETATM   18  C11 UNL     1       5.522  -0.063   2.234  1.00  0.00           C  
HETATM   19  O8  UNL     1       5.449   1.018   3.102  1.00  0.00           O  
HETATM   20  C12 UNL     1       2.048   0.074   0.038  1.00  0.00           C  
HETATM   21  C13 UNL     1       0.726  -0.063  -0.360  1.00  0.00           C  
HETATM   22  O9  UNL     1      -0.167   0.971  -0.370  1.00  0.00           O  
HETATM   23  C14 UNL     1      -1.233   0.983  -1.332  1.00  0.00           C  
HETATM   24  C15 UNL     1      -1.952   2.251  -1.301  1.00  0.00           C  
HETATM   25  C16 UNL     1      -2.256   2.845  -0.100  1.00  0.00           C  
HETATM   26  C17 UNL     1      -2.948   4.062  -0.056  1.00  0.00           C  
HETATM   27  C18 UNL     1      -3.330   4.677  -1.226  1.00  0.00           C  
HETATM   28  O10 UNL     1      -4.026   5.901  -1.209  1.00  0.00           O  
HETATM   29  C19 UNL     1      -3.029   4.088  -2.430  1.00  0.00           C  
HETATM   30  C20 UNL     1      -2.345   2.885  -2.454  1.00  0.00           C  
HETATM   31  C21 UNL     1      -2.042  -0.253  -1.349  1.00  0.00           C  
HETATM   32  O11 UNL     1      -3.051  -0.269  -0.423  1.00  0.00           O  
HETATM   33  C22 UNL     1      -4.315  -0.441  -0.931  1.00  0.00           C  
HETATM   34  O12 UNL     1      -4.718  -1.720  -0.567  1.00  0.00           O  
HETATM   35  C23 UNL     1      -5.172  -1.881   0.699  1.00  0.00           C  
HETATM   36  C24 UNL     1      -5.989  -3.170   0.861  1.00  0.00           C  
HETATM   37  O13 UNL     1      -5.216  -4.294   0.551  1.00  0.00           O  
HETATM   38  C25 UNL     1      -5.922  -0.763   1.327  1.00  0.00           C  
HETATM   39  O14 UNL     1      -7.260  -0.853   0.925  1.00  0.00           O  
HETATM   40  C26 UNL     1      -5.440   0.606   0.922  1.00  0.00           C  
HETATM   41  O15 UNL     1      -4.171   0.770   1.472  1.00  0.00           O  
HETATM   42  C27 UNL     1      -5.329   0.585  -0.586  1.00  0.00           C  
HETATM   43  O16 UNL     1      -5.125   1.803  -1.165  1.00  0.00           O  
HETATM   44  H1  UNL     1      -0.033  -3.987  -1.478  1.00  0.00           H  
HETATM   45  H2  UNL     1       3.172  -3.053  -0.368  1.00  0.00           H  
HETATM   46  H3  UNL     1       4.305   1.188   0.922  1.00  0.00           H  
HETATM   47  H4  UNL     1       5.736  -1.178  -0.897  1.00  0.00           H  
HETATM   48  H5  UNL     1       7.251   0.166  -2.259  1.00  0.00           H  
HETATM   49  H6  UNL     1       8.113  -1.316  -1.699  1.00  0.00           H  
HETATM   50  H7  UNL     1       9.479  -0.060  -0.707  1.00  0.00           H  
HETATM   51  H8  UNL     1       8.146  -1.647   0.692  1.00  0.00           H  
HETATM   52  H9  UNL     1       6.999  -3.284   1.376  1.00  0.00           H  
HETATM   53  H10 UNL     1       7.211  -1.139   2.946  1.00  0.00           H  
HETATM   54  H11 UNL     1       7.236   1.415   1.912  1.00  0.00           H  
HETATM   55  H12 UNL     1       4.947  -0.893   2.723  1.00  0.00           H  
HETATM   56  H13 UNL     1       5.164   1.821   2.583  1.00  0.00           H  
HETATM   57  H14 UNL     1       2.373   1.059   0.354  1.00  0.00           H  
HETATM   58  H15 UNL     1      -0.670   0.989  -2.329  1.00  0.00           H  
HETATM   59  H16 UNL     1      -1.974   2.395   0.851  1.00  0.00           H  
HETATM   60  H17 UNL     1      -3.192   4.539   0.883  1.00  0.00           H  
HETATM   61  H18 UNL     1      -3.503   6.787  -1.224  1.00  0.00           H  
HETATM   62  H19 UNL     1      -3.336   4.584  -3.335  1.00  0.00           H  
HETATM   63  H20 UNL     1      -2.121   2.443  -3.428  1.00  0.00           H  
HETATM   64  H21 UNL     1      -2.544  -0.338  -2.360  1.00  0.00           H  
HETATM   65  H22 UNL     1      -4.224  -0.490  -2.057  1.00  0.00           H  
HETATM   66  H23 UNL     1      -4.263  -2.060   1.352  1.00  0.00           H  
HETATM   67  H24 UNL     1      -6.313  -3.293   1.914  1.00  0.00           H  
HETATM   68  H25 UNL     1      -6.846  -3.186   0.151  1.00  0.00           H  
HETATM   69  H26 UNL     1      -5.300  -5.002   1.239  1.00  0.00           H  
HETATM   70  H27 UNL     1      -5.929  -0.807   2.440  1.00  0.00           H  
HETATM   71  H28 UNL     1      -7.753  -0.043   1.244  1.00  0.00           H  
HETATM   72  H29 UNL     1      -6.087   1.414   1.307  1.00  0.00           H  
HETATM   73  H30 UNL     1      -4.020   0.227   2.272  1.00  0.00           H  
HETATM   74  H31 UNL     1      -6.316   0.216  -0.958  1.00  0.00           H  
HETATM   75  H32 UNL     1      -5.427   1.762  -2.102  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   31
CONECT    3    4    4   21
CONECT    4    5    6
CONECT    5   44
CONECT    6    7    7   45
CONECT    7    8   20
CONECT    8    9
CONECT    9   10   18   46
CONECT   10   11
CONECT   11   12   14   47
CONECT   12   13   48   49
CONECT   13   50
CONECT   14   15   16   51
CONECT   15   52
CONECT   16   17   18   53
CONECT   17   54
CONECT   18   19   55
CONECT   19   56
CONECT   20   21   21   57
CONECT   21   22
CONECT   22   23
CONECT   23   24   31   58
CONECT   24   25   25   30
CONECT   25   26   59
CONECT   26   27   27   60
CONECT   27   28   29
CONECT   28   61
CONECT   29   30   30   62
CONECT   30   63
CONECT   31   32   64
CONECT   32   33
CONECT   33   34   42   65
CONECT   34   35
CONECT   35   36   38   66
CONECT   36   37   67   68
CONECT   37   69
CONECT   38   39   40   70
CONECT   39   71
CONECT   40   41   42   72
CONECT   41   73
CONECT   42   43   74
CONECT   43   75
END

HMDB0040559
     RDKit          3D
Aromadendrin 3,7-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
   -1.6143   -2.5459   -1.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1222   -1.4258   -1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2618   -1.3055   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1426   -2.3652   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -3.6174   -1.1561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -2.2074   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344   -0.9775    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2490   -0.8700    0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    0.2765    0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0066    0.5889    0.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5460   -0.6207   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6453   -0.3620   -1.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6134    0.4103   -0.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0690   -1.3884    0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3972   -2.5975    0.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349   -0.5450    2.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7545    0.5758    1.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5225   -0.0630    2.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494    1.0178    3.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478    0.0736    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7261   -0.0626   -0.3601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    0.9712   -0.3703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2335    0.9833   -1.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524    2.2511   -1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2563    2.8447   -0.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9476    4.0622   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301    4.6772   -1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256    5.9008   -1.2087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285    4.0878   -2.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3454    2.8855   -2.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -0.2532   -1.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.2687   -0.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3149   -0.4407   -0.9311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7176   -1.7196   -0.5665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1717   -1.8814    0.6990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9887   -3.1704    0.8615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2158   -4.2942    0.5506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9217   -0.7630    1.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2605   -0.8534    0.9252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4396    0.6064    0.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1714    0.7701    1.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3286    0.5846   -0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1246    1.8026   -1.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -3.9868   -1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1721   -3.0534   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049    1.1879    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7363   -1.1781   -0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511    0.1661   -2.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1127   -1.3160   -1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4787   -0.0596   -0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1455   -1.6471    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9988   -3.2842    1.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -1.1394    2.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2356    1.4150    1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9473   -0.8928    2.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1636    1.8213    2.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728    1.0585    0.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702    0.9890   -2.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    2.3947    0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1924    4.5393    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5025    6.7872   -1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3362    4.5842   -3.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1212    2.4433   -3.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439   -0.3385   -2.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239   -0.4903   -2.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2631   -2.0600    1.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3127   -3.2935    1.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8461   -3.1863    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2996   -5.0017    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9293   -0.8070    2.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7534   -0.0433    1.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0865    1.4140    1.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0204    0.2265    2.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3157    0.2163   -0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4270    1.7624   -2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 23 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 31  2  1  0
 42 33  1  0
 21  3  1  0
 30 24  1  0
 18  9  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 23 58  1  0
 25 59  1  0
 26 60  1  0
 28 61  1  0
 29 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 35 66  1  0
 36 67  1  0
 36 68  1  0
 37 69  1  0
 38 70  1  0
 39 71  1  0
 40 72  1  0
 41 73  1  0
 42 74  1  0
 43 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂O₁₆

Average Molecular Weight

612.5334

Monoisotopic Molecular Weight

612.169034976

IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

80212-10-8

SMILES

OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H32O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-11-5-12(31)16-13(6-11)40-24(9-1-3-10(30)4-2-9)25(19(16)34)43-27-23(38)21(36)18(33)15(8-29)42-27/h1-6,14-15,17-18,20-33,35-38H,7-8H2

InChI Key

LYZCSBKUDSHVOD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Flavonoid-7-o-glycoside
Flavanonol
4'-hydroxyflavonoid
5-hydroxyflavonoid
Hydroxyflavonoid
Flavanone
Flavan
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Chromone
Chromane
Benzopyran
1-benzopyran
Aryl ketone
Aryl alkyl ketone
1-hydroxy-2-unsubstituted benzenoid
Phenol
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Oxane
Monosaccharide
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Ketone
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Organic oxide
Organic oxygen compound
Primary alcohol
Alcohol
Hydrocarbon derivative
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: HMDB0040559)
Cytoplasm (HMDB: HMDB0040559)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040559)

Source

Exogenous

Exogenous (HMDB: HMDB0040559)

Food

Food (HMDB: HMDB0040559)

Pulse

Pulses (FooDB: FOOD00867)

Endogenous

Plant

Plant (HMDB: HMDB0040559)
Fabaceae (HMDB: HMDB0040559)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0040559)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	9.18 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-1.9	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	9.27	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	137.19 m³·mol⁻¹	ChemAxon
Polarizability	58.16 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	236.387	31661259
DarkChem	[M-H]-	227.336	31661259
DeepCCS	[M+H]+	225.732	30932474
DeepCCS	[M-H]-	223.337	30932474
DeepCCS	[M-2H]-	256.471	30932474
DeepCCS	[M+Na]+	231.696	30932474
AllCCS	[M+H]+	232.7	32859911
AllCCS	[M+H-H2O]+	231.6	32859911
AllCCS	[M+NH4]+	233.7	32859911
AllCCS	[M+Na]+	234.0	32859911
AllCCS	[M-H]-	227.4	32859911
AllCCS	[M+Na-2H]-	229.6	32859911
AllCCS	[M+HCOO]-	232.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Aromadendrin 3,7-diglucoside	OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5171.3	Standard polar	33892256
Aromadendrin 3,7-diglucoside	OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5133.8	Standard non polar	33892256
Aromadendrin 3,7-diglucoside	OCC1OC(OC2C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O	5622.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Aromadendrin 3,7-diglucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5453.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5475.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5442.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5472.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C1O	5465.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5486.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5503.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5526.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O	5489.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C1O	5468.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5374.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5373.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O	5342.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5304.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5293.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5317.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5331.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5297.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5315.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5385.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5349.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5298.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5324.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #21	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5310.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5340.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5346.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O[Si](C)(C)C	5335.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5361.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5327.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5302.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #28	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C1O	5284.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #29	C[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O	5319.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5308.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #30	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C	5360.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5401.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5360.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #33	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5340.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #34	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5326.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #35	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5359.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5387.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #37	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C=C1)O2	5369.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #38	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C=C1)O2	5401.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5407.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5288.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	5352.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	5339.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	5362.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C1O	5346.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #44	C[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O[Si](C)(C)C	5362.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C	5346.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5325.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	5349.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	5332.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5309.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	5323.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5207.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5163.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #100	C[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O	5235.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #101	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5274.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #102	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C=C1)O2	5243.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #103	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C=C1)O2	5280.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #104	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5297.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #105	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	5251.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #106	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	5230.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #107	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	5265.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #108	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C1O	5214.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #109	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5216.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5144.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #110	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5224.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #111	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C=C1)O2	5264.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #112	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C=C1)O2	5259.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	5284.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #114	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C=C1)O2	5272.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	5251.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	5291.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5251.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5252.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5265.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5163.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #120	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5240.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5179.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5139.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5160.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5164.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5180.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	5214.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	5194.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5223.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5172.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	5187.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5197.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	5185.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	5164.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5137.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	5159.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	5236.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	5209.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5182.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5190.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	5199.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O[Si](C)(C)C)C(O)C1O	5238.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O[Si](C)(C)C)C1O	5208.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O[Si](C)(C)C	5228.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5195.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5192.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5197.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5231.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5199.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5233.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5240.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O	5271.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O	5264.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O	5217.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C	5242.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O	5216.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O	5195.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O	5224.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5249.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5197.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5220.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O[Si](C)(C)C)C=C2)C(O)C(O)C1O	5269.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5180.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5174.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5210.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5167.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5190.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5185.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5187.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5142.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5168.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	5212.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C(O)C1O	5241.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	5169.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	5189.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5215.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5230.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5193.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #65	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5246.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #66	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5268.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #67	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5262.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C=C1)O2	5228.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C=C1)O2	5263.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C)C1O	5214.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5279.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5231.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5254.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	5236.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	5216.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	5248.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #76	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5209.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #77	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5201.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #78	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5212.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #79	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5193.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O[Si](C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C	5242.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #80	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5214.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #81	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5187.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #82	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C1O	5170.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #83	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5212.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #84	C[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O	5192.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #85	C[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5250.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #86	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5290.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #87	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5224.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #88	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C=C1)O2	5182.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #89	C[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C=C1)O2	5224.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O	5203.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #90	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5245.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #91	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5269.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #92	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C=C1	5208.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C=C1	5178.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #94	C[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C=C1	5221.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #95	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5234.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #96	C[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C)C1O	5169.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #97	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C1O	5177.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #98	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C1O	5183.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,3TMS,isomer #99	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C1O	5211.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5663.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5701.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5654.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5699.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C1O	5697.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5710.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5702.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5720.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O	5703.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C1O	5697.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5755.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O	5753.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O	5750.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5706.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5690.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5689.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5725.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5717.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5707.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5783.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5767.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C(O)C1O	5691.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5728.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5716.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O	5717.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O	5750.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5740.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5771.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5759.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5717.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)C1O	5696.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O	5703.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5710.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5759.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5786.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5767.2	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O	5734.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5716.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C4=CC=C(O)C=C4)OC3=C2)OC(CO)C(O)C1O	5722.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O)C=C1)O2	5787.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C=C1)O2	5774.0	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C=C1)O2	5772.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O)C=C1	5821.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5693.6	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	5773.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	5768.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C3C(=O)C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	5757.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C1O	5738.1	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5742.7	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C	5740.4	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O	5708.9	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)C(O)C(O)C1O	5759.5	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5715.3	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5721.8	Semi standard non polar	33892256
Aromadendrin 3,7-diglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C2=CC=C(O)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5718.8	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 - Aromadendrin 3,7-diglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ul4-2300190000-4c559eee81a35fc6f21d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (1 TMS) - 70eV, Positive	splash10-0gc0-5710019000-1bf8838f47db3d1416d4	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Aromadendrin 3,7-diglucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	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 - Aromadendrin 3,7-diglucoside 10V, Positive-QTOF	splash10-0gx1-0020921000-69730ec667ce78640bab	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 20V, Positive-QTOF	splash10-0019-0290700000-40655d70ac27ae2ce778	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 40V, Positive-QTOF	splash10-000i-0490210000-5214eedd05075116823d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 10V, Negative-QTOF	splash10-03ea-0213946000-8fe35c215c74bf670bf7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 20V, Negative-QTOF	splash10-000t-1341930000-59a36f351b23003c8494	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 40V, Negative-QTOF	splash10-002r-4693400000-f3aabaae03e84ae50ca3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 10V, Positive-QTOF	splash10-0w29-0000905000-41ef790b64a0b874ade6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 20V, Positive-QTOF	splash10-0udi-0100900000-edd0f53e0ee0b11eb483	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 40V, Positive-QTOF	splash10-0udi-0800900000-b26a2862add7a4ea4001	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 10V, Negative-QTOF	splash10-03di-0000309000-2aef3828819d451f5b43	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 20V, Negative-QTOF	splash10-01ot-0100907000-d3886264958e49b3bdb0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Aromadendrin 3,7-diglucoside 40V, Negative-QTOF	splash10-0f6t-0720902000-23461bfa99b440d4aba3	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

FDB020335

KNApSAcK ID

C00054517

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752854

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Aromadendrin 3,7-diglucoside (HMDB0040559)

MOL for HMDB0040559 (Aromadendrin 3,7-diglucoside)

3D MOL for HMDB0040559 (Aromadendrin 3,7-diglucoside)

3D SDF for HMDB0040559 (Aromadendrin 3,7-diglucoside)

3D-SDF for HMDB0040559 (Aromadendrin 3,7-diglucoside)

PDB for HMDB0040559 (Aromadendrin 3,7-diglucoside)

3D PDB for HMDB0040559 (Aromadendrin 3,7-diglucoside)

SMILES for HMDB0040559 (Aromadendrin 3,7-diglucoside)

INCHI for HMDB0040559 (Aromadendrin 3,7-diglucoside)

Structure for HMDB0040559 (Aromadendrin 3,7-diglucoside)

3D Structure for HMDB0040559 (Aromadendrin 3,7-diglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra