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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 03:12:12 UTC

Update Date

2022-03-07 02:57:03 UTC

HMDB ID

HMDB0041514

Secondary Accession Numbers

HMDB41514

Metabolite Identification

Common Name

Benzyl O-[arabinofuranosyl-(1->6)-glucoside]

Description

Benzyl O-[arabinofuranosyl-(1->6)-glucoside] belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl O-[arabinofuranosyl-(1->6)-glucoside] has been detected, but not quantified in, alcoholic beverages and fruits. This could make benzyl O-[arabinofuranosyl-(1->6)-glucoside] a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Benzyl O-[arabinofuranosyl-(1->6)-glucoside].

Structure

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


  Mrv0541 05061312432D          

 28 30  0  0  0  0            999 V2000
   -4.2461   -7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611   -7.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0665   -7.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0967   -6.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4021   -6.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2527   -5.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4691   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172   -6.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9540   -2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7745   -2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2594   -3.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9239   -3.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1034   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1100   -1.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0799   -3.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2032   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4088   -4.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7678   -4.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486   -1.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6184   -3.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25  7  1  0  0  0  0
 25 18  1  0  0  0  0
 26  8  1  0  0  0  0
 26 17  1  0  0  0  0
 27 10  1  0  0  0  0
 27 17  1  0  0  0  0
 28 11  1  0  0  0  0
 28 18  1  0  0  0  0
M  END

HMDB0041514
     RDKit          3D
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]
 54 56  0  0  0  0  0  0  0  0999 V2000
   -6.2679   -2.6593    2.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3055   -1.3794    1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1806   -1.0658    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -1.1909    1.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -0.3127    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -0.9799   -0.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.9081   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    0.4948   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    0.6215    0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -0.0785   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    0.1598   -0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -0.9467    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0654   -0.5365    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1482   -0.0732    2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3427    0.3352    2.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4558    0.2622    1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934   -0.1950    0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1960   -0.5978    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    0.3323   -2.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.7180   -2.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6952    1.4875   -2.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    1.9971   -3.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.1121   -1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434    2.3062   -1.4034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8942    0.6858   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376    0.4895   -1.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3041    0.4184    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5623    1.1875    1.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9415   -2.6375    2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.2689    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3886   -0.6425    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2823   -1.6350   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    0.1996    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -1.1948    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.6440   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.1166    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -1.1568   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795   -1.7986   -0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546   -1.3151    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -0.0070    2.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4095    0.6982    3.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    0.5802    2.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3281   -0.2180    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1333   -0.9554   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    0.7010   -2.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152   -1.6095   -2.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401    2.2778   -1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    1.8974   -3.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600    0.4470   -2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7788    3.0994   -1.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307    1.7418   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7567    0.3864   -2.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0590    0.5712   -0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2390    2.1180    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  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
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 23  8  1  0
 18 13  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  5 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
 10 37  1  0
 12 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 26 52  1  0
 27 53  1  0
 28 54  1  0
M  END


  Mrv0541 05061312432D          

 28 30  0  0  0  0            999 V2000
   -4.2461   -7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7611   -7.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0665   -7.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0967   -6.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4021   -6.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991   -0.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2527   -5.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4691   -1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172   -6.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9540   -2.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7745   -2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2594   -3.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9239   -3.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637   -1.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1034   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1100   -1.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0799   -3.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2032   -0.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4088   -4.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7678   -4.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6486   -1.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387   -1.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6184   -3.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 16  1  0  0  0  0
 25  7  1  0  0  0  0
 25 18  1  0  0  0  0
 26  8  1  0  0  0  0
 26 17  1  0  0  0  0
 27 10  1  0  0  0  0
 27 17  1  0  0  0  0
 28 11  1  0  0  0  0
 28 18  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041514

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H26O10/c19-6-10-12(20)15(23)17(27-10)26-8-11-13(21)14(22)16(24)18(28-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2

> <INCHI_KEY>
VLAZYPZGDJXPDY-UHFFFAOYSA-N

> <FORMULA>
C18H26O10

> <MOLECULAR_WEIGHT>
402.393

> <EXACT_MASS>
402.152597052

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
40.0086951508317

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.29

> <JCHEM_LOGP>
-1.7054403006666667

> <ALOGPS_LOGS>
-1.29

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.490292029780477

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.94250133562314

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981143337099244

> <JCHEM_POLAR_SURFACE_AREA>
158.29999999999998

> <JCHEM_REFRACTIVITY>
91.738

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e+01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041514
     RDKit          3D
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]
 54 56  0  0  0  0  0  0  0  0999 V2000
   -6.2679   -2.6593    2.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3055   -1.3794    1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1806   -1.0658    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -1.1909    1.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -0.3127    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -0.9799   -0.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.9081   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    0.4948   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    0.6215    0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -0.0785   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    0.1598   -0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -0.9467    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0654   -0.5365    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1482   -0.0732    2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3427    0.3352    2.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4558    0.2622    1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934   -0.1950    0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1960   -0.5978    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    0.3323   -2.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.7180   -2.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6952    1.4875   -2.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    1.9971   -3.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.1121   -1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434    2.3062   -1.4034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8942    0.6858   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376    0.4895   -1.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3041    0.4184    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5623    1.1875    1.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9415   -2.6375    2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.2689    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3886   -0.6425    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2823   -1.6350   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    0.1996    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -1.1948    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.6440   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.1166    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -1.1568   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795   -1.7986   -0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546   -1.3151    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -0.0070    2.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4095    0.6982    3.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    0.5802    2.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3281   -0.2180    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1333   -0.9554   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    0.7010   -2.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152   -1.6095   -2.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401    2.2778   -1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    1.8974   -3.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600    0.4470   -2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7788    3.0994   -1.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307    1.7418   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7567    0.3864   -2.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0590    0.5712   -0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2390    2.1180    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  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
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 23  8  1  0
 18 13  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  5 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
 10 37  1  0
 12 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 26 52  1  0
 27 53  1  0
 28 54  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      -7.926 -14.342   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.021 -13.096   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.457 -14.181   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.647 -11.689   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.084 -12.774   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.425  -0.544   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.805 -10.121   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.342  -3.570   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.179 -11.528   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.890  -1.020   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -9.247  -4.816   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.136  -0.115   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -10.779  -4.655   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -11.684  -5.901   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.381  -1.020   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -11.058  -7.307   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.906  -2.485   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -9.526  -7.468   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.105   0.962   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -5.136   1.425   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0     -11.405  -3.248   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0     -13.216  -5.740   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -7.846  -0.544   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0     -11.963  -8.553   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -8.900  -8.875   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -6.811  -3.731   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -4.366  -2.485   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -8.621  -6.223   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    9                                                       
CONECT    5    3    9                                                       
CONECT    6   10   19                                                       
CONECT    7    9   25                                                       
CONECT    8   11   26                                                       
CONECT    9    4    5    7                                                  
CONECT   10    6   12   27                                                  
CONECT   11    8   13   28                                                  
CONECT   12   10   15   20                                                  
CONECT   13   11   14   21                                                  
CONECT   14   13   16   22                                                  
CONECT   15   12   17   23                                                  
CONECT   16   14   18   24                                                  
CONECT   17   15   26   27                                                  
CONECT   18   16   25   28                                                  
CONECT   19    6                                                            
CONECT   20   12                                                            
CONECT   21   13                                                            
CONECT   22   14                                                            
CONECT   23   15                                                            
CONECT   24   16                                                            
CONECT   25    7   18                                                       
CONECT   26    8   17                                                       
CONECT   27   10   17                                                       
CONECT   28   11   18                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END

COMPND    HMDB0041514
HETATM    1  O1  UNL     1      -6.268  -2.659   2.050  1.00  0.00           O  
HETATM    2  C1  UNL     1      -6.306  -1.379   1.553  1.00  0.00           C  
HETATM    3  C2  UNL     1      -5.181  -1.066   0.595  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.937  -1.191   1.142  1.00  0.00           O  
HETATM    5  C3  UNL     1      -3.072  -0.313   0.474  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.226  -0.980  -0.373  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.883  -0.908  -0.069  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.389   0.495  -0.173  1.00  0.00           C  
HETATM    9  O4  UNL     1       0.959   0.622   0.156  1.00  0.00           O  
HETATM   10  C6  UNL     1       1.822  -0.079  -0.673  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.098   0.160  -0.175  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.723  -0.947   0.325  1.00  0.00           C  
HETATM   13  C8  UNL     1       5.065  -0.537   0.816  1.00  0.00           C  
HETATM   14  C9  UNL     1       5.148  -0.073   2.113  1.00  0.00           C  
HETATM   15  C10 UNL     1       6.343   0.335   2.675  1.00  0.00           C  
HETATM   16  C11 UNL     1       7.456   0.262   1.888  1.00  0.00           C  
HETATM   17  C12 UNL     1       7.393  -0.195   0.598  1.00  0.00           C  
HETATM   18  C13 UNL     1       6.196  -0.598   0.053  1.00  0.00           C  
HETATM   19  C14 UNL     1       1.666   0.332  -2.104  1.00  0.00           C  
HETATM   20  O6  UNL     1       1.109  -0.718  -2.825  1.00  0.00           O  
HETATM   21  C15 UNL     1       0.695   1.488  -2.139  1.00  0.00           C  
HETATM   22  O7  UNL     1       0.564   1.997  -3.424  1.00  0.00           O  
HETATM   23  C16 UNL     1      -0.622   1.112  -1.531  1.00  0.00           C  
HETATM   24  O8  UNL     1      -1.343   2.306  -1.403  1.00  0.00           O  
HETATM   25  C17 UNL     1      -3.894   0.686  -0.254  1.00  0.00           C  
HETATM   26  O9  UNL     1      -3.838   0.489  -1.633  1.00  0.00           O  
HETATM   27  C18 UNL     1      -5.304   0.418   0.241  1.00  0.00           C  
HETATM   28  O10 UNL     1      -5.562   1.187   1.361  1.00  0.00           O  
HETATM   29  H1  UNL     1      -5.942  -2.638   2.985  1.00  0.00           H  
HETATM   30  H2  UNL     1      -7.255  -1.269   0.950  1.00  0.00           H  
HETATM   31  H3  UNL     1      -6.389  -0.642   2.363  1.00  0.00           H  
HETATM   32  H4  UNL     1      -5.282  -1.635  -0.347  1.00  0.00           H  
HETATM   33  H5  UNL     1      -2.519   0.200   1.288  1.00  0.00           H  
HETATM   34  H6  UNL     1      -0.814  -1.195   1.022  1.00  0.00           H  
HETATM   35  H7  UNL     1      -0.308  -1.644  -0.685  1.00  0.00           H  
HETATM   36  H8  UNL     1      -0.927   1.117   0.570  1.00  0.00           H  
HETATM   37  H9  UNL     1       1.627  -1.157  -0.532  1.00  0.00           H  
HETATM   38  H10 UNL     1       3.780  -1.799  -0.379  1.00  0.00           H  
HETATM   39  H11 UNL     1       3.155  -1.315   1.201  1.00  0.00           H  
HETATM   40  H12 UNL     1       4.268  -0.007   2.759  1.00  0.00           H  
HETATM   41  H13 UNL     1       6.409   0.698   3.690  1.00  0.00           H  
HETATM   42  H14 UNL     1       8.394   0.580   2.321  1.00  0.00           H  
HETATM   43  H15 UNL     1       8.328  -0.218   0.048  1.00  0.00           H  
HETATM   44  H16 UNL     1       6.133  -0.955  -0.948  1.00  0.00           H  
HETATM   45  H17 UNL     1       2.607   0.701  -2.560  1.00  0.00           H  
HETATM   46  H18 UNL     1       1.415  -1.610  -2.497  1.00  0.00           H  
HETATM   47  H19 UNL     1       1.140   2.278  -1.466  1.00  0.00           H  
HETATM   48  H20 UNL     1       1.391   1.897  -3.953  1.00  0.00           H  
HETATM   49  H21 UNL     1      -1.160   0.447  -2.228  1.00  0.00           H  
HETATM   50  H22 UNL     1      -0.779   3.099  -1.458  1.00  0.00           H  
HETATM   51  H23 UNL     1      -3.631   1.742  -0.026  1.00  0.00           H  
HETATM   52  H24 UNL     1      -4.757   0.386  -2.031  1.00  0.00           H  
HETATM   53  H25 UNL     1      -6.059   0.571  -0.566  1.00  0.00           H  
HETATM   54  H26 UNL     1      -5.239   2.118   1.215  1.00  0.00           H  
CONECT    1    2   29
CONECT    2    3   30   31
CONECT    3    4   27   32
CONECT    4    5
CONECT    5    6   25   33
CONECT    6    7
CONECT    7    8   34   35
CONECT    8    9   23   36
CONECT    9   10
CONECT   10   11   19   37
CONECT   11   12
CONECT   12   13   38   39
CONECT   13   14   14   18
CONECT   14   15   40
CONECT   15   16   16   41
CONECT   16   17   42
CONECT   17   18   18   43
CONECT   18   44
CONECT   19   20   21   45
CONECT   20   46
CONECT   21   22   23   47
CONECT   22   48
CONECT   23   24   49
CONECT   24   50
CONECT   25   26   27   51
CONECT   26   52
CONECT   27   28   53
CONECT   28   54
END

HMDB0041514
     RDKit          3D
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]
 54 56  0  0  0  0  0  0  0  0999 V2000
   -6.2679   -2.6593    2.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3055   -1.3794    1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1806   -1.0658    0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -1.1909    1.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722   -0.3127    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -0.9799   -0.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8831   -0.9081   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    0.4948   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    0.6215    0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8224   -0.0785   -0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983    0.1598   -0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7229   -0.9467    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0654   -0.5365    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1482   -0.0732    2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3427    0.3352    2.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4558    0.2622    1.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3934   -0.1950    0.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1960   -0.5978    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    0.3323   -2.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.7180   -2.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6952    1.4875   -2.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    1.9971   -3.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.1121   -1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3434    2.3062   -1.4034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8942    0.6858   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376    0.4895   -1.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3041    0.4184    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5623    1.1875    1.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9415   -2.6375    2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2550   -1.2689    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3886   -0.6425    2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2823   -1.6350   -0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190    0.1996    1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8144   -1.1948    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -1.6440   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    1.1166    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -1.1568   -0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795   -1.7986   -0.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1546   -1.3151    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685   -0.0070    2.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4095    0.6982    3.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3944    0.5802    2.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3281   -0.2180    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1333   -0.9554   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066    0.7010   -2.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152   -1.6095   -2.4969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401    2.2778   -1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    1.8974   -3.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600    0.4470   -2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7788    3.0994   -1.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307    1.7418   -0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7567    0.3864   -2.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0590    0.5712   -0.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2390    2.1180    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  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
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 10 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  5 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27  3  1  0
 23  8  1  0
 18 13  1  0
  1 29  1  0
  2 30  1  0
  2 31  1  0
  3 32  1  0
  5 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
 10 37  1  0
 12 38  1  0
 12 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 18 44  1  0
 19 45  1  0
 20 46  1  0
 21 47  1  0
 22 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 26 52  1  0
 27 53  1  0
 28 54  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₈H₂₆O₁₀

Average Molecular Weight

402.393

Monoisotopic Molecular Weight

402.152597052

IUPAC Name

2-(benzyloxy)-6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

Traditional Name

2-(benzyloxy)-6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol

CAS Registry Number

88510-11-6

SMILES

OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C18H26O10/c19-6-10-12(20)15(23)17(27-10)26-8-11-13(21)14(22)16(24)18(28-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2

InChI Key

VLAZYPZGDJXPDY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Benzenoid
Oxane
Monocyclic benzene moiety
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041514)
Cytoplasm (HMDB: HMDB0041514)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041514)

Source

Exogenous

Food

Food (HMDB: HMDB0041514)

Fruit

Fruits (FooDB: FOOD00871)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Endogenous

Plant

Plant (HMDB: HMDB0041514)

Not Available

Nutrient (HMDB: HMDB0041514)

Physical Properties

State

Liquid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	-15.2 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	1.10	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	20.4 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-1.7	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	11.94	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	158.3 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	91.74 m³·mol⁻¹	ChemAxon
Polarizability	40.01 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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]+	189.867	31661259
DarkChem	[M-H]-	185.22	31661259
DeepCCS	[M+H]+	184.799	30932474
DeepCCS	[M-H]-	182.417	30932474
DeepCCS	[M-2H]-	216.765	30932474
DeepCCS	[M+Na]+	192.496	30932474
AllCCS	[M+H]+	194.7	32859911
AllCCS	[M+H-H2O]+	192.2	32859911
AllCCS	[M+NH4]+	196.9	32859911
AllCCS	[M+Na]+	197.6	32859911
AllCCS	[M-H]-	188.8	32859911
AllCCS	[M+Na-2H]-	189.1	32859911
AllCCS	[M+HCOO]-	189.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]	OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	4057.8	Standard polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]	OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	3543.2	Standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside]	OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	3480.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	3295.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TMS,isomer #2	C[Si](C)(C)OC1C(OCC2=CC=CC=C2)OC(COC2OC(CO)C(O)C2O)C(O)C1O	3264.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C1O	3261.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TMS,isomer #4	C[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O)C1O	3281.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TMS,isomer #5	C[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)OC(CO)C1O	3283.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C1O	3271.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	3214.4	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #10	C[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O)C1O[Si](C)(C)C	3223.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O)C1O	3206.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #12	C[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C1O	3215.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C)C1O	3208.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #14	C[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O[Si](C)(C)C)OC(OCC2=CC=CC=C2)C(O)C1O	3220.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C1O[Si](C)(C)C	3192.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	3222.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	3225.4	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	3196.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	3177.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O)C1O	3200.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #7	C[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O)OC(CO)C1O	3215.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #8	C[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C)C1O	3211.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TMS,isomer #9	C[Si](C)(C)OC1C(OCC2=CC=CC=C2)OC(COC2OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	3224.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	3177.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #10	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3111.4	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	3174.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	3187.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #13	C[Si](C)(C)OC1C(OCC2=CC=CC=C2)OC(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3165.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #14	C[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C1O	3182.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #15	C[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O[Si](C)(C)C)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C)C1O	3192.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #16	C[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3227.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #17	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3167.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #18	C[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C1O	3173.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #19	C[Si](C)(C)OC1C(O)C(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(OCC2=CC=CC=C2)C1O	3138.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	3184.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #20	C[Si](C)(C)OC1C(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(OCC2=CC=CC=C2)C(O)C1O	3162.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	3162.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	3146.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3170.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #6	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3142.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3124.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3162.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TMS,isomer #9	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3146.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	3150.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #10	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3090.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	3149.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	3097.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #13	C[Si](C)(C)OC1C(COC2OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C)C1O	3123.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #14	C[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C1O	3151.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	3081.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	3093.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	3077.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3116.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3101.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #6	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3094.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #7	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3081.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #8	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3065.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TMS,isomer #9	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3042.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],5TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3069.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],5TMS,isomer #2	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3054.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],5TMS,isomer #3	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3016.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],5TMS,isomer #4	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3063.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],5TMS,isomer #5	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3005.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],5TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	3073.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],6TMS,isomer #1	C[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3022.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O	3526.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(OCC2=CC=CC=C2)OC(COC2OC(CO)C(O)C2O)C(O)C1O	3543.4	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C1O	3529.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O)C1O	3550.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)OC(CO)C1O	3543.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C1O	3536.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	3681.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O)C1O[Si](C)(C)C(C)(C)C	3694.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3671.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C1O	3674.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3687.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(OCC2=CC=CC=C2)C(O)C1O	3692.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	3674.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3671.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3690.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3659.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3640.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	3675.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(CO)C1O	3682.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C(C)(C)C)C1O	3682.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(OCC2=CC=CC=C2)OC(COC2OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3696.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	3795.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3750.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	3803.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	3802.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(OCC2=CC=CC=C2)OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3776.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C1O	3804.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C(C)(C)C)C1O	3803.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O)C2O)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3810.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3798.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3801.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(OCC2=CC=CC=C2)C1O	3787.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3804.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(OCC2=CC=CC=C2)C(O)C1O	3790.7	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3777.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3766.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3790.3	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3787.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3775.5	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3793.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3781.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	3939.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3895.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O	3947.1	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C1O[Si](C)(C)C(C)(C)C	3927.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(OCC2=CC=CC=C2)C(O[Si](C)(C)C(C)(C)C)C1O	3937.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC(CO)C1O	3944.2	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3922.8	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3936.4	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3928.0	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3955.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3949.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3875.9	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3931.4	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3920.6	Semi standard non polar	33892256
Benzyl O-[arabinofuranosyl-(1->6)-glucoside],4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OCC2OC(OCC3=CC=CC=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3900.8	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 - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	splash10-06yx-9347000000-0b0cb0ff5118ae3ade4a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] GC-MS (4 TMS) - 70eV, Positive	splash10-004i-7810029000-11058e4ab05a7a353b8b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0f76-9224400000-f8ab587b7d67afed3c5e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0006-9631000000-6993cb449b34025a80ee	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0006-9300000000-d0272289eb6e44c63949	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0zfr-3973800000-b921fad89449618d6196	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-001j-1921000000-cdd067a1e214a1ada0ac	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-0a6v-8910000000-7be78b61e26cae250c8b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 10V, Negative-QTOF	splash10-0ufr-3367900000-8ab3e9a2e1f777cfa039	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 20V, Negative-QTOF	splash10-1001-5592000000-c998026f5756112df363	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 40V, Negative-QTOF	splash10-052f-9210000000-a42a2d348659aaeb7688	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 10V, Positive-QTOF	splash10-0f76-9458700000-ae33f907a79f7a950373	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 20V, Positive-QTOF	splash10-0006-9122000000-efb1235533d15019fcb0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Benzyl O-[arabinofuranosyl-(1->6)-glucoside] 40V, Positive-QTOF	splash10-0006-9211000000-59a1802fa34c7d0a40cd	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

FDB021488

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14682805

PDB ID

Not Available

ChEBI ID

171790

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 Benzyl O-[arabinofuranosyl-(1->6)-glucoside] (HMDB0041514)

MOL for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

3D MOL for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

3D SDF for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

3D-SDF for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

PDB for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

3D PDB for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

SMILES for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

INCHI for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

Structure for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

3D Structure for HMDB0041514 (Benzyl O-[arabinofuranosyl-(1->6)-glucoside])

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra