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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-04-06 16:20:56 UTC

Update Date

2021-09-14 14:59:39 UTC

HMDB ID

HMDB0012202

Secondary Accession Numbers

HMDB0041369
HMDB12202
HMDB41369

Metabolite Identification

Common Name

cis-Zeatin-9-N-glucoside

Description

cis-Zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase. Glucosylation of cytokinins is a well-recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation.

Structure

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


  Mrv1652309042000352D          

 27 29  0  0  0  0            999 V2000
 9992.7623 9991.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0479 9991.4185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0479 9990.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7623 9990.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4769 9991.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4769 9990.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7464 9991.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2212 9991.6888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7627 9992.6573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9044 9994.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3333 9994.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0478 9993.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0478 9993.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6188 9993.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3333 9995.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2615 9990.3385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2985 9986.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6036 9987.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9026 9990.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5737 9988.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9629 9987.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1121 9988.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.4478 9988.1636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.2682 9988.0772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9995.7532 9988.7448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.4176 9989.4985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9994.5971 9989.5847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  4  6  1  0  0  0  0
  1  5  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 10  1  0  0  0  0
  9  1  1  0  0  0  0
 21 17  1  0  0  0  0
 23 21  1  1  0  0  0
 23 22  1  0  0  0  0
 24 18  1  6  0  0  0
 24 23  1  0  0  0  0
 25 20  1  1  0  0  0
 25 24  1  0  0  0  0
 26 19  1  6  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
 27 26  1  0  0  0  0
 27 16  1  1  0  0  0
  6 16  1  0  0  0  0
 16  7  1  0  0  0  0
M  END

HMDB0012202
     RDKit          3D
cis-Zeatin-9-N-glucoside
 50 52  0  0  0  0  0  0  0  0999 V2000
   -6.3512    1.9999   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0494    0.5718   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586    0.0027   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5696   -1.3639   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -1.3501    0.5113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1326   -0.8604   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -0.4209   -1.4378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602    0.0339   -2.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    0.0593   -1.4776 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219   -0.3693   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -0.8330    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4590   -1.1974    1.6707 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623   -0.9578    1.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.4401    0.5918 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419   -0.0438    0.2594 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3536   -1.0148   -0.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4864   -0.3848   -0.9593 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1359   -1.2162   -2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2473   -0.5008   -2.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4151   -0.1054    0.1985 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6700    0.3154   -0.2318 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    0.9778    1.0421 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5072    1.3546    2.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860    0.4678    1.4632 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6748    1.5568    1.9671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0394   -0.0749    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1850    0.6142    2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4068    2.1081   -0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0549    2.6131    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7295    2.2823   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342    0.6383   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2513   -1.8687    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -1.9609   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541   -1.6873    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    0.3966   -3.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.1366    2.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    0.8316   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    0.5828   -1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193   -1.2541   -2.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -2.2068   -1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890    0.3986   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776   -1.0040    0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2410   -0.4922   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533    1.8274    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6765    2.3408    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576   -0.2763    2.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    2.1619    2.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9813   -1.1477    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0389    0.1030    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3858   -0.0705    2.7089 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  2  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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  1  0
 11  6  1  0
 24 15  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
  8 35  1  0
 13 36  1  0
 15 37  1  6
 17 38  1  6
 18 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
 24 46  1  1
 25 47  1  0
 26 48  1  0
 26 49  1  0
 27 50  1  0
M  END


  Mrv1652309042000352D          

 27 29  0  0  0  0            999 V2000
 9992.7623 9991.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0479 9991.4185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0479 9990.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7623 9990.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4769 9991.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.4769 9990.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7464 9991.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2212 9991.6888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9992.7627 9992.6573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9044 9994.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3333 9994.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0478 9993.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.0478 9993.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6188 9993.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.3333 9995.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2615 9990.3385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2985 9986.7423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6036 9987.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9026 9990.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5737 9988.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9629 9987.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.1121 9988.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.4478 9988.1636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.2682 9988.0772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9995.7532 9988.7448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.4176 9989.4985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9994.5971 9989.5847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  0  0  0  0
  4  6  1  0  0  0  0
  1  5  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 10  1  0  0  0  0
  9  1  1  0  0  0  0
 21 17  1  0  0  0  0
 23 21  1  1  0  0  0
 23 22  1  0  0  0  0
 24 18  1  6  0  0  0
 24 23  1  0  0  0  0
 25 20  1  1  0  0  0
 25 24  1  0  0  0  0
 26 19  1  6  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
 27 26  1  0  0  0  0
 27 16  1  1  0  0  0
  6 16  1  0  0  0  0
 16  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0012202

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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

> <INCHI_KEY>
VYRAJOITMBSQSE-MTQUCLQASA-N

> <FORMULA>
C16H23N5O6

> <MOLECULAR_WEIGHT>
381.389

> <EXACT_MASS>
381.164833481

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
37.615852465722035

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.71

> <JCHEM_LOGP>
-2.3391197993333335

> <ALOGPS_LOGS>
-1.77

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.267143681247326

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.357289446637967

> <JCHEM_PKA_STRONGEST_BASIC>
3.701553975113937

> <JCHEM_POLAR_SURFACE_AREA>
166.01

> <JCHEM_REFRACTIVITY>
95.54439999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012202
     RDKit          3D
cis-Zeatin-9-N-glucoside
 50 52  0  0  0  0  0  0  0  0999 V2000
   -6.3512    1.9999   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0494    0.5718   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586    0.0027   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5696   -1.3639   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -1.3501    0.5113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1326   -0.8604   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -0.4209   -1.4378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602    0.0339   -2.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    0.0593   -1.4776 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219   -0.3693   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -0.8330    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4590   -1.1974    1.6707 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623   -0.9578    1.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.4401    0.5918 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419   -0.0438    0.2594 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3536   -1.0148   -0.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4864   -0.3848   -0.9593 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1359   -1.2162   -2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2473   -0.5008   -2.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4151   -0.1054    0.1985 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6700    0.3154   -0.2318 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    0.9778    1.0421 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5072    1.3546    2.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860    0.4678    1.4632 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6748    1.5568    1.9671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0394   -0.0749    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1850    0.6142    2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4068    2.1081   -0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0549    2.6131    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7295    2.2823   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342    0.6383   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2513   -1.8687    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -1.9609   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541   -1.6873    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    0.3966   -3.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.1366    2.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    0.8316   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    0.5828   -1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193   -1.2541   -2.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -2.2068   -1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890    0.3986   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776   -1.0040    0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2410   -0.4922   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533    1.8274    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6765    2.3408    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576   -0.2763    2.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    2.1619    2.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9813   -1.1477    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0389    0.1030    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3858   -0.0705    2.7089 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  2  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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  1  0
 11  6  1  0
 24 15  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
  8 35  1  0
 13 36  1  0
 15 37  1  6
 17 38  1  6
 18 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
 24 46  1  1
 25 47  1  0
 26 48  1  0
 26 49  1  0
 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  C   UNK     0    8653.1568651.418   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8651.8238650.648   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8651.8238649.108   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0    8653.1568648.338   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8654.4908650.648   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8654.4908649.108   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8656.8608649.878   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    8655.8808651.152   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0    8653.1578652.960   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0    8647.8228656.042   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8650.4898656.042   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8651.8238655.272   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8651.8238653.732   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8649.1558655.272   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8650.4898657.582   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    8655.9558648.632   0.000  0.00  0.00           N+0
HETATM   17  O   UNK     0    8656.0248641.919   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8658.4608643.004   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8659.0188648.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8660.2718645.496   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8655.3978643.326   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0    8655.6768645.979   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0    8656.3038644.572   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8657.8348644.411   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8658.7398645.657   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8658.1138647.064   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8656.5818647.225   0.000  0.00  0.00           C+0
CONECT    1    2    5    9                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    6                                                       
CONECT    5    6    1    8                                                  
CONECT    6    5    4   16                                                  
CONECT    7    8   16                                                       
CONECT    8    5    7                                                       
CONECT    9   13    1                                                       
CONECT   10   14                                                            
CONECT   11   12   14   15                                                  
CONECT   12   11   13                                                       
CONECT   13   12    9                                                       
CONECT   14   11   10                                                       
CONECT   15   11                                                            
CONECT   16   27    6    7                                                  
CONECT   17   21                                                            
CONECT   18   24                                                            
CONECT   19   26                                                            
CONECT   20   25                                                            
CONECT   21   17   23                                                       
CONECT   22   23   27                                                       
CONECT   23   21   22   24                                                  
CONECT   24   18   23   25                                                  
CONECT   25   20   24   26                                                  
CONECT   26   19   25   27                                                  
CONECT   27   22   26   16                                                  
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0012202
HETATM    1  C1  UNL     1      -6.351   2.000  -0.502  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.049   0.572  -0.076  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.959   0.003  -0.516  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.570  -1.364  -0.169  1.00  0.00           C  
HETATM    5  N1  UNL     1      -3.263  -1.350   0.511  1.00  0.00           N  
HETATM    6  C5  UNL     1      -2.133  -0.860  -0.182  1.00  0.00           C  
HETATM    7  N2  UNL     1      -2.237  -0.421  -1.438  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.160   0.034  -2.075  1.00  0.00           C  
HETATM    9  N3  UNL     1       0.034   0.059  -1.478  1.00  0.00           N  
HETATM   10  C7  UNL     1       0.222  -0.369  -0.205  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.900  -0.833   0.432  1.00  0.00           C  
HETATM   12  N4  UNL     1      -0.459  -1.197   1.671  1.00  0.00           N  
HETATM   13  C9  UNL     1       0.862  -0.958   1.756  1.00  0.00           C  
HETATM   14  N5  UNL     1       1.303  -0.440   0.592  1.00  0.00           N  
HETATM   15  C10 UNL     1       2.642  -0.044   0.259  1.00  0.00           C  
HETATM   16  O1  UNL     1       3.354  -1.015  -0.433  1.00  0.00           O  
HETATM   17  C11 UNL     1       4.486  -0.385  -0.959  1.00  0.00           C  
HETATM   18  C12 UNL     1       5.136  -1.216  -2.038  1.00  0.00           C  
HETATM   19  O2  UNL     1       6.247  -0.501  -2.492  1.00  0.00           O  
HETATM   20  C13 UNL     1       5.415  -0.105   0.198  1.00  0.00           C  
HETATM   21  O3  UNL     1       6.670   0.315  -0.232  1.00  0.00           O  
HETATM   22  C14 UNL     1       4.747   0.978   1.042  1.00  0.00           C  
HETATM   23  O4  UNL     1       5.507   1.355   2.120  1.00  0.00           O  
HETATM   24  C15 UNL     1       3.386   0.468   1.463  1.00  0.00           C  
HETATM   25  O5  UNL     1       2.675   1.557   1.967  1.00  0.00           O  
HETATM   26  C16 UNL     1      -7.039  -0.075   0.811  1.00  0.00           C  
HETATM   27  O6  UNL     1      -7.185   0.614   2.019  1.00  0.00           O  
HETATM   28  H1  UNL     1      -7.407   2.108  -0.748  1.00  0.00           H  
HETATM   29  H2  UNL     1      -6.055   2.613   0.388  1.00  0.00           H  
HETATM   30  H3  UNL     1      -5.729   2.282  -1.356  1.00  0.00           H  
HETATM   31  H4  UNL     1      -4.334   0.638  -1.184  1.00  0.00           H  
HETATM   32  H5  UNL     1      -5.251  -1.869   0.491  1.00  0.00           H  
HETATM   33  H6  UNL     1      -4.390  -1.961  -1.116  1.00  0.00           H  
HETATM   34  H7  UNL     1      -3.154  -1.687   1.476  1.00  0.00           H  
HETATM   35  H8  UNL     1      -1.216   0.397  -3.095  1.00  0.00           H  
HETATM   36  H9  UNL     1       1.527  -1.137   2.614  1.00  0.00           H  
HETATM   37  H10 UNL     1       2.557   0.832  -0.449  1.00  0.00           H  
HETATM   38  H11 UNL     1       4.148   0.583  -1.384  1.00  0.00           H  
HETATM   39  H12 UNL     1       4.419  -1.254  -2.886  1.00  0.00           H  
HETATM   40  H13 UNL     1       5.408  -2.207  -1.645  1.00  0.00           H  
HETATM   41  H14 UNL     1       5.889   0.399  -2.775  1.00  0.00           H  
HETATM   42  H15 UNL     1       5.478  -1.004   0.843  1.00  0.00           H  
HETATM   43  H16 UNL     1       7.241  -0.492  -0.305  1.00  0.00           H  
HETATM   44  H17 UNL     1       4.553   1.827   0.326  1.00  0.00           H  
HETATM   45  H18 UNL     1       5.677   2.341   2.026  1.00  0.00           H  
HETATM   46  H19 UNL     1       3.458  -0.276   2.272  1.00  0.00           H  
HETATM   47  H20 UNL     1       3.207   2.162   2.509  1.00  0.00           H  
HETATM   48  H21 UNL     1      -6.981  -1.148   0.921  1.00  0.00           H  
HETATM   49  H22 UNL     1      -8.039   0.103   0.286  1.00  0.00           H  
HETATM   50  H23 UNL     1      -7.386  -0.070   2.709  1.00  0.00           H  
CONECT    1    2   28   29   30
CONECT    2    3    3   26
CONECT    3    4   31
CONECT    4    5   32   33
CONECT    5    6   34
CONECT    6    7    7   11
CONECT    7    8
CONECT    8    9    9   35
CONECT    9   10
CONECT   10   11   11   14
CONECT   11   12
CONECT   12   13   13
CONECT   13   14   36
CONECT   14   15
CONECT   15   16   24   37
CONECT   16   17
CONECT   17   18   20   38
CONECT   18   19   39   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   24   44
CONECT   23   45
CONECT   24   25   46
CONECT   25   47
CONECT   26   27   48   49
CONECT   27   50
END

HMDB0012202
     RDKit          3D
cis-Zeatin-9-N-glucoside
 50 52  0  0  0  0  0  0  0  0999 V2000
   -6.3512    1.9999   -0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0494    0.5718   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586    0.0027   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5696   -1.3639   -0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -1.3501    0.5113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1326   -0.8604   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -0.4209   -1.4378 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602    0.0339   -2.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0344    0.0593   -1.4776 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219   -0.3693   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -0.8330    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4590   -1.1974    1.6707 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8623   -0.9578    1.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034   -0.4401    0.5918 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6419   -0.0438    0.2594 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3536   -1.0148   -0.4326 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4864   -0.3848   -0.9593 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1359   -1.2162   -2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2473   -0.5008   -2.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4151   -0.1054    0.1985 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6700    0.3154   -0.2318 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    0.9778    1.0421 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5072    1.3546    2.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860    0.4678    1.4632 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6748    1.5568    1.9671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0394   -0.0749    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1850    0.6142    2.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4068    2.1081   -0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0549    2.6131    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7295    2.2823   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342    0.6383   -1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2513   -1.8687    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905   -1.9609   -1.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541   -1.6873    1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2163    0.3966   -3.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.1366    2.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574    0.8316   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1482    0.5828   -1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4193   -1.2541   -2.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4083   -2.2068   -1.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890    0.3986   -2.7755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776   -1.0040    0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2410   -0.4922   -0.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5533    1.8274    0.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6765    2.3408    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576   -0.2763    2.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067    2.1619    2.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9813   -1.1477    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0389    0.1030    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3858   -0.0705    2.7089 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  2  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
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  1  0
 11  6  1  0
 24 15  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
  8 35  1  0
 13 36  1  0
 15 37  1  6
 17 38  1  6
 18 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
 24 46  1  1
 25 47  1  0
 26 48  1  0
 26 49  1  0
 27 50  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
cis-Zeatin-9-beta-D-glucoside	ChEBI
cis-Zeatin-9-beta-glucoside	ChEBI
cis-Zeatin-9-glucoside	ChEBI
cis-Zeatin-9-b-D-glucoside	Generator
cis-Zeatin-9-β-D-glucoside	Generator
cis-Zeatin-9-b-glucoside	Generator
cis-Zeatin-9-β-glucoside	Generator
9-(b-D-Glucosyl)-cis-zeatin	HMDB
9-(Β-D-glucosyl)-cis-zeatin	HMDB
(2Z)-4-[(9-beta-D-Glucopyranosyl-9H-purin-6-yl)amino]-2-methyl-2-buten-1-ol	HMDB
(2Z)-4-[(9-Β-D-glucopyranosyl-9H-purin-6-yl)amino]-2-methyl-2-buten-1-ol	HMDB
cis-Zeatin-9-N-glucoside	HMDB

Chemical Formula

C₁₆H₂₃N₅O₆

Average Molecular Weight

381.389

Monoisotopic Molecular Weight

381.164833481

IUPAC Name

(2R,3R,4S,5S,6R)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2R,3R,4S,5S,6R)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

169565-72-4

SMILES

C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

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

InChI Key

VYRAJOITMBSQSE-MTQUCLQASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

Hexose monosaccharide
N-glycosyl compound
6-alkylaminopurine
6-aminopurine
Purine
Imidazopyrimidine
Aminopyrimidine
Imidolactam
Pyrimidine
Monosaccharide
Oxane
N-substituted imidazole
Heteroaromatic compound
Azole
Imidazole
Secondary alcohol
Polyol
Organoheterocyclic compound
Azacycle
Oxacycle
Primary alcohol
Hydrocarbon derivative
Organic nitrogen compound
Alcohol
Amine
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

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)

Dish

Other dish

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

Tea

Herbal tea

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

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

cis-Zeatin-N-Glucoside Biosynthesis (PathBank: SMP0012067)

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	6.42 g/L	ALOGPS
logP	-0.71	ALOGPS
logP	-2.3	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	12.36	ChemAxon
pKa (Strongest Basic)	3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.01 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	95.54 m³·mol⁻¹	ChemAxon
Polarizability	37.62 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]+	187.538	30932474
DeepCCS	[M-H]-	185.142	30932474
DeepCCS	[M-2H]-	218.222	30932474
DeepCCS	[M+Na]+	193.45	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
cis-Zeatin-9-N-glucoside	C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4226.1	Standard polar	33892256
cis-Zeatin-9-N-glucoside	C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3124.0	Standard non polar	33892256
cis-Zeatin-9-N-glucoside	C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3670.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
cis-Zeatin-9-N-glucoside,1TMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[Si](C)(C)C	3440.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)CO	3426.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TMS,isomer #3	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CO	3410.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TMS,isomer #4	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CO	3415.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TMS,isomer #5	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CO	3387.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TMS,isomer #6	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C)CO	3413.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)CO[Si](C)(C)C	3340.8	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #10	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)CO	3315.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #11	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)CO	3297.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #12	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C)CO	3294.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #13	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CO	3302.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #14	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)CO	3303.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #15	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO	3282.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CO[Si](C)(C)C	3343.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #3	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CO[Si](C)(C)C	3344.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #4	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CO[Si](C)(C)C	3323.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #5	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C)CO[Si](C)(C)C	3320.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #6	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CO	3328.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #7	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CO	3312.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #8	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CO	3297.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TMS,isomer #9	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C)CO	3298.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CO[Si](C)(C)C	3292.8	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #10	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C	3241.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #11	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3268.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #12	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3252.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #13	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3247.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #14	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3240.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #15	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3230.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #16	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO	3218.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #17	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3264.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #18	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3244.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #19	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO	3230.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CO[Si](C)(C)C	3285.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #20	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO	3234.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #3	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CO[Si](C)(C)C	3274.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #4	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C)CO[Si](C)(C)C	3254.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #5	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)CO[Si](C)(C)C	3280.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #6	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)CO[Si](C)(C)C	3265.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #7	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)[Si](C)(C)C)CO[Si](C)(C)C	3254.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #8	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CO[Si](C)(C)C	3269.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TMS,isomer #9	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[Si](C)(C)C)CO[Si](C)(C)C	3253.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3277.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #10	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C	3227.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #11	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3277.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #12	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3236.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #13	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO	3228.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #14	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO	3216.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #15	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO	3237.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3269.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #3	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3231.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #4	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3258.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #5	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3227.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #6	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C	3212.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #7	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3276.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #8	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3232.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TMS,isomer #9	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C	3221.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,5TMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3303.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,5TMS,isomer #2	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C	3246.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,5TMS,isomer #3	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO[Si](C)(C)C	3237.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,5TMS,isomer #4	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO[Si](C)(C)C	3229.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,5TMS,isomer #5	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO[Si](C)(C)C	3247.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,5TMS,isomer #6	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO	3255.8	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,6TMS,isomer #1	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO[Si](C)(C)C	3284.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,6TMS,isomer #1	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO[Si](C)(C)C	3123.9	Standard non polar	33892256
cis-Zeatin-9-N-glucoside,6TMS,isomer #1	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C)CO[Si](C)(C)C	3846.1	Standard polar	33892256
cis-Zeatin-9-N-glucoside,1TBDMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO[Si](C)(C)C(C)(C)C	3662.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TBDMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)CO	3630.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TBDMS,isomer #3	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)CO	3621.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TBDMS,isomer #4	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)CO	3622.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TBDMS,isomer #5	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)CO	3597.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,1TBDMS,isomer #6	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)CO	3613.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)CO[Si](C)(C)C(C)(C)C	3757.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #10	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3672.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #11	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3654.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #12	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3682.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #13	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3659.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #14	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3684.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #15	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO	3664.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)CO[Si](C)(C)C(C)(C)C	3751.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #3	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)CO[Si](C)(C)C(C)(C)C	3747.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #4	C/C(=C/CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	3729.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #5	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	3726.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #6	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3706.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #7	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3694.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #8	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3677.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,2TBDMS,isomer #9	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3691.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3857.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #10	C/C(=C/CN(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	3805.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #11	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3807.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #12	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3787.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #13	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3796.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #14	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3780.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #15	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3789.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #16	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO	3775.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #17	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3777.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #18	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3773.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #19	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO	3764.5	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3856.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #20	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO	3770.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #3	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3845.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #4	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3821.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #5	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3827.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #6	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3819.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #7	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3816.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #8	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3820.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,3TBDMS,isomer #9	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3818.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #1	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3966.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #10	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	3911.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #11	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO	3938.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #12	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO	3916.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #13	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO	3900.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #14	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO	3895.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #15	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO	3888.2	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #2	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3950.3	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #3	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3943.0	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #4	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3949.7	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #5	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3946.9	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #6	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	3931.1	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #7	C/C(=C/CNC1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3938.6	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #8	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)CO[Si](C)(C)C(C)(C)C	3913.4	Semi standard non polar	33892256
cis-Zeatin-9-N-glucoside,4TBDMS,isomer #9	C/C(=C/CN(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C	3902.2	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-9-N-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-9-N-glucoside LC-ESI-ITFT 17V, positive-QTOF	splash10-00di-0092000000-c4f839f0f604db7b65c1	2020-07-21	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin-9-N-glucoside 10V, Negative-QTOF	splash10-001i-0009000000-4f5b185b9fd5a67cdab7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin-9-N-glucoside 20V, Negative-QTOF	splash10-0gza-0298000000-69f3e270ddf78653bc51	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin-9-N-glucoside 40V, Negative-QTOF	splash10-0ue9-0930000000-4bcd71df5ef44a4ddfcb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin-9-N-glucoside 10V, Positive-QTOF	splash10-0089-0059000000-5852ba181ffe387cc01f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin-9-N-glucoside 20V, Positive-QTOF	splash10-0uk9-0590000000-d69b523f8aff48770ca7	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - cis-Zeatin-9-N-glucoside 40V, Positive-QTOF	splash10-0f79-1950000000-b82ca38e6ecb6c05a8db	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB028848

KNApSAcK ID

C00057962

Chemspider ID

32042536

KEGG Compound ID

Not Available

BioCyc ID

CPD-4619

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101921807

PDB ID

Not Available

ChEBI ID

133208

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 cis-Zeatin-9-N-glucoside (HMDB0012202)

MOL for HMDB0012202 (cis-Zeatin-9-N-glucoside)

3D MOL for HMDB0012202 (cis-Zeatin-9-N-glucoside)

3D SDF for HMDB0012202 (cis-Zeatin-9-N-glucoside)

3D-SDF for HMDB0012202 (cis-Zeatin-9-N-glucoside)

PDB for HMDB0012202 (cis-Zeatin-9-N-glucoside)

3D PDB for HMDB0012202 (cis-Zeatin-9-N-glucoside)

SMILES for HMDB0012202 (cis-Zeatin-9-N-glucoside)

INCHI for HMDB0012202 (cis-Zeatin-9-N-glucoside)

Structure for HMDB0012202 (cis-Zeatin-9-N-glucoside)

3D Structure for HMDB0012202 (cis-Zeatin-9-N-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra