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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-04-06 16:20:57 UTC

Update Date

2021-09-14 15:46:10 UTC

HMDB ID

HMDB0012203

Secondary Accession Numbers

HMDB12203

Metabolite Identification

Common Name

cis-Zeatin O-glucoside

Description

cis-Zeatin O-glucoside, also known as O-beta-D-glucosylzeatin, belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol, a phosphorylated alcohol (phosphoprenol), or a hydroxy fatty acid, or to one carboxyl group of a fatty acid (ester linkage) or an amino alcohol. cis-Zeatin O-glucoside is a very strong basic compound (based on its pKa). cis-Zeatin O-glucoside is an intermediate in zeatin biosynthesis. It is generated from cis-zeatin via the enzyme cis-zeatin O-beta-D-glucosyltransferase (EC 2.4.1.215).

Structure

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


  Mrv1652309042000352D          

 27 29  0  0  0  0            999 V2000
10000.733810000.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.7338 9999.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0193 9999.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.0193 9998.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7338 9998.1525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.2329 9999.6449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.4483 9999.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4483 9998.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.2329 9998.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.7178 9998.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.875510002.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7319 9999.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.017610000.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.446510003.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.017410002.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4464 9999.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.161010001.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.446410000.6299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.732010001.0424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9995.731910001.8674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.446510002.2800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.161010001.8674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.304410002.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.018910001.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.018910001.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.589910001.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.304410003.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5  8  1  0  0  0  0
  2  7  2  0  0  0  0
 16 12  1  0  0  0  0
 19 13  1  1  0  0  0
 20 15  1  6  0  0  0
 21 14  1  1  0  0  0
 18 16  1  6  0  0  0
 22 17  1  0  0  0  0
 18 17  1  0  0  0  0
 22 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 11  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
  1 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 11  1  0  0  0  0
M  END

HMDB0012203
     RDKit          3D
cis-Zeatin O-glucoside
 50 52  0  0  0  0  0  0  0  0999 V2000
   -0.0321    1.8486   -1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    0.4806   -1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9013    0.4063   -1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -0.8557   -1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325   -1.0889   -0.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772   -0.3612    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0839    0.5549   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028    1.1853   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7772    0.9414    0.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451    0.0334    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5241   -0.4627    2.9658 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843   -1.3804    3.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.4961    2.2526 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0441   -0.6443    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341   -0.6706   -1.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826   -1.0891   -1.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467   -0.3297   -0.6810 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1438   -0.0681    0.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1576    0.6239    1.2547 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8017   -0.2962    2.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8675   -0.6591    3.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2679    1.0400    0.3365 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9162    2.1207   -0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020   -0.1089   -0.5024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7115   -0.8643    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.0103   -0.9239 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7284   -1.2613   -2.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222    2.0364   -2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.8504   -0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    2.6248   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    1.2989   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   -0.6762   -2.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -1.7544   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236   -1.8320    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    0.7828   -1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297    1.9159   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907   -1.9349    4.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -1.5696   -2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -0.3146   -2.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139    0.6525   -1.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211    1.5062    1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -1.2077    1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059    0.2587    2.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1739   -0.5293    4.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770    1.3607    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3687    2.9551   -0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984    0.3253   -1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501   -1.7709   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6706   -1.9524   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2579   -0.6139   -2.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 14  6  2  0
 26 17  1  0
 14 10  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  7 35  1  0
  8 36  1  0
 12 37  1  0
 15 38  1  0
 15 39  1  0
 17 40  1  6
 19 41  1  1
 20 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  1
 23 46  1  0
 24 47  1  6
 25 48  1  0
 26 49  1  1
 27 50  1  0
M  END


  Mrv1652309042000352D          

 27 29  0  0  0  0            999 V2000
10000.733810000.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.7338 9999.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0193 9999.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.0193 9998.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7338 9998.1525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.2329 9999.6449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.4483 9999.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4483 9998.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.2329 9998.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10002.7178 9998.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.875510002.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.7319 9999.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.017610000.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.446510003.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.017410002.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4464 9999.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.161010001.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.446410000.6299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.732010001.0424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9995.731910001.8674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.446510002.2800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.161010001.8674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.304410002.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.018910001.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.018910001.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.589910001.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.304410003.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5  8  1  0  0  0  0
  2  7  2  0  0  0  0
 16 12  1  0  0  0  0
 19 13  1  1  0  0  0
 20 15  1  6  0  0  0
 21 14  1  1  0  0  0
 18 16  1  6  0  0  0
 22 17  1  0  0  0  0
 18 17  1  0  0  0  0
 22 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 11  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
  1 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012203

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\CNC1=C2N=CN=C2N=CN1

> <INCHI_IDENTIFIER>
InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2-/t9-,11-,12+,13-,16-/m1/s1

> <INCHI_KEY>
UUPDCCPAOMDMPT-MTQUCLQASA-N

> <FORMULA>
C16H23N5O6

> <MOLECULAR_WEIGHT>
381.389

> <EXACT_MASS>
381.164833481

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
37.436295309555966

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2Z)-2-methyl-4-[(1H-purin-6-yl)amino]but-2-en-1-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.54

> <JCHEM_LOGP>
-2.1108441813333334

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.210511340681517

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.1072789321265475

> <JCHEM_PKA_STRONGEST_BASIC>
0.29650194960461507

> <JCHEM_POLAR_SURFACE_AREA>
165.87

> <JCHEM_REFRACTIVITY>
95.70939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.75e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012203
     RDKit          3D
cis-Zeatin O-glucoside
 50 52  0  0  0  0  0  0  0  0999 V2000
   -0.0321    1.8486   -1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    0.4806   -1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9013    0.4063   -1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -0.8557   -1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325   -1.0889   -0.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772   -0.3612    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0839    0.5549   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028    1.1853   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7772    0.9414    0.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451    0.0334    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5241   -0.4627    2.9658 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843   -1.3804    3.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.4961    2.2526 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0441   -0.6443    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341   -0.6706   -1.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826   -1.0891   -1.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467   -0.3297   -0.6810 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1438   -0.0681    0.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1576    0.6239    1.2547 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8017   -0.2962    2.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8675   -0.6591    3.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2679    1.0400    0.3365 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9162    2.1207   -0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020   -0.1089   -0.5024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7115   -0.8643    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.0103   -0.9239 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7284   -1.2613   -2.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222    2.0364   -2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.8504   -0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    2.6248   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    1.2989   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   -0.6762   -2.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -1.7544   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236   -1.8320    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    0.7828   -1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297    1.9159   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907   -1.9349    4.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -1.5696   -2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -0.3146   -2.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139    0.6525   -1.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211    1.5062    1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -1.2077    1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059    0.2587    2.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1739   -0.5293    4.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770    1.3607    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3687    2.9551   -0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984    0.3253   -1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501   -1.7709   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6706   -1.9524   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2579   -0.6139   -2.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 14  6  2  0
 26 17  1  0
 14 10  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  7 35  1  0
  8 36  1  0
 12 37  1  0
 15 38  1  0
 15 39  1  0
 17 40  1  6
 19 41  1  1
 20 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  1
 23 46  1  0
 24 47  1  6
 25 48  1  0
 26 49  1  1
 27 50  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0    8668.0368667.841   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0    8668.0368666.298   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0    8666.7038665.528   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0    8666.7038663.988   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0    8668.0368663.218   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0    8670.8358666.004   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0    8669.3708665.528   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8669.3708663.988   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8670.8358663.512   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0    8671.7408664.758   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8662.7018670.922   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8658.7008665.532   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8657.3668667.842   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8660.0338672.463   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8657.3668670.922   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    8660.0338666.302   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8661.3678668.612   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0    8660.0338667.842   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8658.7008668.612   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8658.7008670.152   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8660.0338670.923   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8661.3678670.152   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8665.3688670.922   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8666.7028670.152   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8666.7028668.612   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8664.0348670.152   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8665.3688672.462   0.000  0.00  0.00           C+0
CONECT    1    2   25                                                       
CONECT    2    3    1    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    8                                                       
CONECT    6    7   10                                                       
CONECT    7    8    6    2                                                  
CONECT    8    7    9    5                                                  
CONECT    9    8   10                                                       
CONECT   10    6    9                                                       
CONECT   11   22   26                                                       
CONECT   12   16                                                            
CONECT   13   19                                                            
CONECT   14   21                                                            
CONECT   15   20                                                            
CONECT   16   12   18                                                       
CONECT   17   22   18                                                       
CONECT   18   16   17   19                                                  
CONECT   19   13   18   20                                                  
CONECT   20   15   19   21                                                  
CONECT   21   14   22   20                                                  
CONECT   22   17   21   11                                                  
CONECT   23   24   26   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24    1                                                       
CONECT   26   23   11                                                       
CONECT   27   23                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0012203
HETATM    1  C1  UNL     1      -0.032   1.849  -1.334  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.589   0.481  -1.538  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.901   0.406  -1.424  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.621  -0.856  -1.596  1.00  0.00           C  
HETATM    5  N1  UNL     1       3.332  -1.089  -0.327  1.00  0.00           N  
HETATM    6  C5  UNL     1       4.477  -0.361   0.035  1.00  0.00           C  
HETATM    7  N2  UNL     1       5.084   0.555  -0.703  1.00  0.00           N  
HETATM    8  C6  UNL     1       6.203   1.185  -0.263  1.00  0.00           C  
HETATM    9  N3  UNL     1       6.777   0.941   0.926  1.00  0.00           N  
HETATM   10  C7  UNL     1       6.245   0.033   1.748  1.00  0.00           C  
HETATM   11  N4  UNL     1       6.524  -0.463   2.966  1.00  0.00           N  
HETATM   12  C8  UNL     1       5.584  -1.380   3.255  1.00  0.00           C  
HETATM   13  N5  UNL     1       4.695  -1.496   2.253  1.00  0.00           N  
HETATM   14  C9  UNL     1       5.044  -0.644   1.279  1.00  0.00           C  
HETATM   15  C10 UNL     1      -0.234  -0.671  -1.885  1.00  0.00           C  
HETATM   16  O1  UNL     1      -1.183  -1.089  -1.018  1.00  0.00           O  
HETATM   17  C11 UNL     1      -2.247  -0.330  -0.681  1.00  0.00           C  
HETATM   18  O2  UNL     1      -2.144  -0.068   0.687  1.00  0.00           O  
HETATM   19  C12 UNL     1      -3.158   0.624   1.255  1.00  0.00           C  
HETATM   20  C13 UNL     1      -3.802  -0.296   2.306  1.00  0.00           C  
HETATM   21  O3  UNL     1      -2.868  -0.659   3.273  1.00  0.00           O  
HETATM   22  C14 UNL     1      -4.268   1.040   0.337  1.00  0.00           C  
HETATM   23  O4  UNL     1      -3.916   2.121  -0.472  1.00  0.00           O  
HETATM   24  C15 UNL     1      -4.702  -0.109  -0.502  1.00  0.00           C  
HETATM   25  O5  UNL     1      -5.712  -0.864   0.104  1.00  0.00           O  
HETATM   26  C16 UNL     1      -3.581  -1.010  -0.924  1.00  0.00           C  
HETATM   27  O6  UNL     1      -3.728  -1.261  -2.293  1.00  0.00           O  
HETATM   28  H1  UNL     1      -0.722   2.036  -2.153  1.00  0.00           H  
HETATM   29  H2  UNL     1      -0.490   1.850  -0.340  1.00  0.00           H  
HETATM   30  H3  UNL     1       0.773   2.625  -1.287  1.00  0.00           H  
HETATM   31  H4  UNL     1       2.498   1.299  -1.190  1.00  0.00           H  
HETATM   32  H5  UNL     1       3.445  -0.676  -2.346  1.00  0.00           H  
HETATM   33  H6  UNL     1       2.069  -1.754  -1.799  1.00  0.00           H  
HETATM   34  H7  UNL     1       2.924  -1.832   0.287  1.00  0.00           H  
HETATM   35  H8  UNL     1       4.697   0.783  -1.646  1.00  0.00           H  
HETATM   36  H9  UNL     1       6.630   1.916  -0.926  1.00  0.00           H  
HETATM   37  H10 UNL     1       5.591  -1.935   4.204  1.00  0.00           H  
HETATM   38  H11 UNL     1       0.287  -1.570  -2.265  1.00  0.00           H  
HETATM   39  H12 UNL     1      -0.746  -0.315  -2.879  1.00  0.00           H  
HETATM   40  H13 UNL     1      -2.314   0.653  -1.179  1.00  0.00           H  
HETATM   41  H14 UNL     1      -2.821   1.506   1.859  1.00  0.00           H  
HETATM   42  H15 UNL     1      -4.221  -1.208   1.869  1.00  0.00           H  
HETATM   43  H16 UNL     1      -4.606   0.259   2.850  1.00  0.00           H  
HETATM   44  H17 UNL     1      -3.174  -0.529   4.192  1.00  0.00           H  
HETATM   45  H18 UNL     1      -5.177   1.361   0.915  1.00  0.00           H  
HETATM   46  H19 UNL     1      -4.369   2.955  -0.188  1.00  0.00           H  
HETATM   47  H20 UNL     1      -5.198   0.325  -1.414  1.00  0.00           H  
HETATM   48  H21 UNL     1      -5.650  -1.771  -0.246  1.00  0.00           H  
HETATM   49  H22 UNL     1      -3.671  -1.952  -0.333  1.00  0.00           H  
HETATM   50  H23 UNL     1      -3.258  -0.614  -2.851  1.00  0.00           H  
CONECT    1    2   28   29   30
CONECT    2    3    3   15
CONECT    3    4   31
CONECT    4    5   32   33
CONECT    5    6   34
CONECT    6    7   14   14
CONECT    7    8   35
CONECT    8    9    9   36
CONECT    9   10
CONECT   10   11   11   14
CONECT   11   12
CONECT   12   13   13   37
CONECT   13   14
CONECT   15   16   38   39
CONECT   16   17
CONECT   17   18   26   40
CONECT   18   19
CONECT   19   20   22   41
CONECT   20   21   42   43
CONECT   21   44
CONECT   22   23   24   45
CONECT   23   46
CONECT   24   25   26   47
CONECT   25   48
CONECT   26   27   49
CONECT   27   50
END

HMDB0012203
     RDKit          3D
cis-Zeatin O-glucoside
 50 52  0  0  0  0  0  0  0  0999 V2000
   -0.0321    1.8486   -1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891    0.4806   -1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9013    0.4063   -1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6206   -0.8557   -1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325   -1.0889   -0.3266 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4772   -0.3612    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0839    0.5549   -0.7025 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2028    1.1853   -0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7772    0.9414    0.9260 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2451    0.0334    1.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5241   -0.4627    2.9658 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5843   -1.3804    3.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6949   -1.4961    2.2526 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0441   -0.6443    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341   -0.6706   -1.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1826   -1.0891   -1.0181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2467   -0.3297   -0.6810 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1438   -0.0681    0.6870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1576    0.6239    1.2547 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8017   -0.2962    2.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8675   -0.6591    3.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2679    1.0400    0.3365 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9162    2.1207   -0.4722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7020   -0.1089   -0.5024 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7115   -0.8643    0.1043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -1.0103   -0.9239 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7284   -1.2613   -2.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222    2.0364   -2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.8504   -0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    2.6248   -1.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    1.2989   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   -0.6762   -2.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -1.7544   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236   -1.8320    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    0.7828   -1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6297    1.9159   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907   -1.9349    4.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -1.5696   -2.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -0.3146   -2.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3139    0.6525   -1.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211    1.5062    1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -1.2077    1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059    0.2587    2.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1739   -0.5293    4.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770    1.3607    0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3687    2.9551   -0.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1984    0.3253   -1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501   -1.7709   -0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6706   -1.9524   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2579   -0.6139   -2.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 14  6  2  0
 26 17  1  0
 14 10  1  0
  1 28  1  0
  1 29  1  0
  1 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  7 35  1  0
  8 36  1  0
 12 37  1  0
 15 38  1  0
 15 39  1  0
 17 40  1  6
 19 41  1  1
 20 42  1  0
 20 43  1  0
 21 44  1  0
 22 45  1  1
 23 46  1  0
 24 47  1  6
 25 48  1  0
 26 49  1  1
 27 50  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
cis-Zeatin-O-glucoside	ChEBI
O-b-D-Glucosyl-cis-zeatin	HMDB
O-Β-D-glucosyl-cis-zeatin	HMDB
(2Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-yl beta-D-glucopyranoside	HMDB
(2Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-yl β-D-glucopyranoside	HMDB
O-beta-D-Glucopyranosyl-cis-zeatin	HMDB
O-beta-D-Glucosyl-cis-zeatin	HMDB
O-Β-D-glucopyranosyl-cis-zeatin	HMDB
cis-Zeatin O-glucoside	HMDB

Chemical Formula

C₁₆H₂₃N₅O₆

Average Molecular Weight

381.389

Monoisotopic Molecular Weight

381.164833481

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2Z)-2-methyl-4-[(1H-purin-6-yl)amino]but-2-en-1-yl]oxy}oxane-3,4,5-triol

Traditional Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol

CAS Registry Number

71866-93-8

SMILES

C\C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\CNC1=C2N=CN=C2N=CN1

InChI Identifier

InChI=1S/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)/b8-2-/t9-,11-,12+,13-,16-/m1/s1

InChI Key

UUPDCCPAOMDMPT-MTQUCLQASA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Glycosyl compound
O-glycosyl compound
6-alkylaminopurine
6-aminopurine
Imidazopyrimidine
Purine
Aminopyrimidine
Secondary aliphatic/aromatic amine
Monosaccharide
Oxane
Pyrimidine
Imidolactam
Azole
Heteroaromatic compound
Imidazole
Secondary alcohol
Organoheterocyclic compound
Secondary amine
Polyol
Acetal
Azacycle
Oxacycle
Primary alcohol
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Organopnictogen compound
Amine
Alcohol
Organooxygen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

O-beta-D-glucosylzeatin (CHEBI:29043 )

Ontology

Not Available

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Dish

Other dish

Tostada shell (FooDB: FOOD00992)
Taco shell (FooDB: FOOD00991)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

cis-Zeatin-O-Glucoside Biosynthesis (PathBank: SMP0012055)

Role

Not Available

Physical Properties

State

Solid

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	3.67 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-2.1	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	6.11	ChemAxon
pKa (Strongest Basic)	0.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.87 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	95.71 m³·mol⁻¹	ChemAxon
Polarizability	37.44 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
DeepCCS	[M+H]+	186.564	30932474
DeepCCS	[M-H]-	184.168	30932474
DeepCCS	[M-2H]-	217.052	30932474
DeepCCS	[M+Na]+	192.476	30932474
AllCCS	[M+H]+	191.6	32859911
AllCCS	[M+H-H2O]+	188.9	32859911
AllCCS	[M+NH4]+	194.1	32859911
AllCCS	[M+Na]+	194.9	32859911
AllCCS	[M-H]-	186.6	32859911
AllCCS	[M+Na-2H]-	186.8	32859911
AllCCS	[M+HCOO]-	187.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
cis-Zeatin O-glucoside	C\C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\CNC1=C2N=CN=C2N=CN1	4006.9	Standard polar	33892256
cis-Zeatin O-glucoside	C\C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\CNC1=C2N=CN=C2N=CN1	3262.1	Standard non polar	33892256
cis-Zeatin O-glucoside	C\C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\CNC1=C2N=CN=C2N=CN1	3672.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
cis-Zeatin O-glucoside,1TMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3482.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3469.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TMS,isomer #3	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3463.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TMS,isomer #4	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3462.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TMS,isomer #5	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3413.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TMS,isomer #6	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3531.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3400.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #10	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3372.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #11	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3340.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #12	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3468.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #13	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3329.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #14	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3448.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #15	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3425.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3384.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #3	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3378.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3335.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #5	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3468.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #6	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3367.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #7	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3367.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #8	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3331.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TMS,isomer #9	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3459.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3346.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #10	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3359.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #11	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3335.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #12	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3286.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #13	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3419.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #14	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3293.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #15	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3408.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #16	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3352.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #17	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3293.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #18	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3421.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #19	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3352.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3346.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #20	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3348.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #3	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3307.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #4	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3440.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #5	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3339.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3290.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #7	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3422.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #8	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3293.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TMS,isomer #9	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3415.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3368.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #10	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3334.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #11	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3306.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #12	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3419.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #13	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3332.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #14	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3328.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #15	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3337.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #2	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3302.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #3	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3418.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3303.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #5	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3418.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3354.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #7	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3298.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #8	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3414.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TMS,isomer #9	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3337.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #1	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3346.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #1	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3203.1	Standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #1	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4034.8	Standard polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3441.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3364.9	Standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4324.4	Standard polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #3	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3360.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #3	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3318.9	Standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #3	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4136.2	Standard polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3364.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3335.8	Standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4117.0	Standard polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #5	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3354.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #5	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3325.4	Standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #5	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4166.2	Standard polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3357.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3305.7	Standard non polar	33892256
cis-Zeatin O-glucoside,5TMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4101.6	Standard polar	33892256
cis-Zeatin O-glucoside,6TMS,isomer #1	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3430.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,6TMS,isomer #1	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3286.7	Standard non polar	33892256
cis-Zeatin O-glucoside,6TMS,isomer #1	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C)[Si](C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3921.0	Standard polar	33892256
cis-Zeatin O-glucoside,1TBDMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3689.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TBDMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3680.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TBDMS,isomer #3	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3669.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TBDMS,isomer #4	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3667.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TBDMS,isomer #5	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3630.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,1TBDMS,isomer #6	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3756.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3775.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #10	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3713.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #11	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3681.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #12	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3832.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #13	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3687.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #14	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3824.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #15	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3812.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3745.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #3	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3759.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3715.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #5	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3855.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #6	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3700.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #7	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3701.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #8	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3689.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,2TBDMS,isomer #9	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3834.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3831.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #10	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3913.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #11	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3803.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #12	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3770.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #13	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3912.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #14	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3774.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #15	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3913.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #16	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3907.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #17	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3781.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #18	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3922.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #19	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3891.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #2	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3852.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #20	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3898.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #3	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3820.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #4	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3960.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #5	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3828.9	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3791.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #7	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3938.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #8	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3813.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,3TBDMS,isomer #9	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3945.3	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #1	C/C(=C/CNC1=C2N=CN=C2N=C[NH]1)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4011.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #10	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4048.6	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #11	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3908.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #12	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4032.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #13	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4010.2	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #14	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4011.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #15	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4021.0	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #2	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3935.5	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #3	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4061.7	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #4	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3957.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #5	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4088.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #6	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4063.1	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #7	C/C(=C/CN(C1=C2N=CN=C2N=C[NH]1)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3933.8	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #8	C/C(=C/CNC1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4059.4	Semi standard non polar	33892256
cis-Zeatin O-glucoside,4TBDMS,isomer #9	C/C(=C/CN(C1=C2N=CN=C2N=CN1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4034.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - cis-Zeatin O-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
Experimental LC-MS/MS	LC-MS/MS Spectrum - cis-Zeatin O-glucoside LC-ESI-ITFT 19V, positive-QTOF	splash10-00di-0291000000-8ff78feb3055c54c6803	2020-07-21	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin O-glucoside 10V, Negative-QTOF	splash10-001i-0319000000-09a2cada4b696df94078	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin O-glucoside 20V, Negative-QTOF	splash10-0j4i-5389000000-7ffde7d78e85e3603b5f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin O-glucoside 40V, Negative-QTOF	splash10-053r-5910000000-86999dda86df00397445	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin O-glucoside 10V, Positive-QTOF	splash10-001i-0019000000-2c70425e036b227bbae3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin O-glucoside 20V, Positive-QTOF	splash10-0udi-0292000000-187056877f7e89f29041	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin O-glucoside 40V, Positive-QTOF	splash10-0f79-3890000000-cef5c68fcd71b09170ee	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

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

FDB112395

KNApSAcK ID

Not Available

Chemspider ID

4444204

KEGG Compound ID

C15546

BioCyc ID

CPD-4620

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5280589

PDB ID

Not Available

ChEBI ID

29043

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for cis-Zeatin O-glucoside (HMDB0012203)

MOL for HMDB0012203 (cis-Zeatin O-glucoside)

3D MOL for HMDB0012203 (cis-Zeatin O-glucoside)

3D SDF for HMDB0012203 (cis-Zeatin O-glucoside)

3D-SDF for HMDB0012203 (cis-Zeatin O-glucoside)

PDB for HMDB0012203 (cis-Zeatin O-glucoside)

3D PDB for HMDB0012203 (cis-Zeatin O-glucoside)

SMILES for HMDB0012203 (cis-Zeatin O-glucoside)

INCHI for HMDB0012203 (cis-Zeatin O-glucoside)

Structure for HMDB0012203 (cis-Zeatin O-glucoside)

3D Structure for HMDB0012203 (cis-Zeatin O-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra