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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-04-06 16:21:39 UTC

Update Date

2021-09-14 15:44:40 UTC

HMDB ID

HMDB0012244

Secondary Accession Numbers

HMDB12244

Metabolite Identification

Common Name

Kinetin-9-N-glucoside

Description

Kinetin-9-N-glucoside 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). Kinetin-9-N-glucoside is a strong basic compound (based on its pKa). Kinetin-9-N-glucoside is the product of the reaction between kinetin and UDP-D-glucose, with UDP as a co-product. The reaction is catalyzed by a UDP glycosyltransferase.

Structure

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


  Mrv1652306222023392D          

 32 35  0  0  1  0            999 V2000
    2.9398    5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6848    4.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7648    5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    4.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -0.8853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739   -1.4984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1809   -1.3268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4358   -0.5422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -2.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -1.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428   -0.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197    4.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -0.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331   -1.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -2.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -0.7137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9878   -1.1553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908    0.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  8  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  1  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  1  0  0  0  0
 19 15  2  0  0  0  0
 20  7  2  0  0  0  0
 20 10  1  0  0  0  0
 21  7  1  0  0  0  0
 21 15  1  0  0  0  0
 16 21  1  1  0  0  0
 22  5  1  0  0  0  0
 11 23  1  6  0  0  0
 12 24  1  6  0  0  0
 13 25  1  6  0  0  0
 26  3  1  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 27 16  1  0  0  0  0
  9 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  6  0  0  0
 13 31  1  1  0  0  0
 16 32  1  6  0  0  0
M  END

HMDB0012244
     RDKit          3D
Kinetin-9-N-glucoside
 46 49  0  0  0  0  0  0  0  0999 V2000
   -4.4323   -1.3980    3.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7575   -0.6412    2.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7144    0.4676    1.8253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4577   -0.0488    1.6471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8594    0.2547    0.4540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6258   -0.4910    0.3586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066   -1.7120    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -2.1097    0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261   -1.1135   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873   -0.9323   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -1.9609   -0.5171 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9598   -1.7922   -1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395   -0.6242   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    0.0991    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959    1.0900    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    0.9264   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7929   -0.0934   -0.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.1934   -1.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.1711   -1.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    1.0111   -0.9293 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033   -0.0965   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -0.0498   -0.6937 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1340    0.0875   -1.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167    0.9671   -0.6236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0742    0.5113   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484    1.4490    0.7863 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4710    2.6562    1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7392   -0.9991    3.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8592   -1.2670    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7494   -0.1955    2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060    1.0167    2.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    1.3474    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359   -2.3108    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4089   -2.8427   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5607   -2.6869   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -1.6777   -2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   -0.0256    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0350    1.8417    1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028    1.5231   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    2.0785   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967   -1.0727   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017   -0.0599   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5686    1.8562   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7958    0.5635   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2257    1.6736    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690    3.4164    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 10 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  5 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26  3  1  0
 21  6  1  0
 21  9  1  0
 17 13  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  1
  5 32  1  1
  7 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
 22 41  1  1
 23 42  1  0
 24 43  1  6
 25 44  1  0
 26 45  1  6
 27 46  1  0
M  END


  Mrv1652306222023392D          

 32 35  0  0  1  0            999 V2000
    2.9398    5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6848    4.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7648    5.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9851   -1.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    4.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -0.8853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739   -1.4984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1809   -1.3268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4358   -0.5422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -2.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -1.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428   -0.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0197    4.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -0.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331   -1.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259   -2.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288   -0.7137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9878   -1.1553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908    0.2424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  8  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  1  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  1  0  0  0  0
 19 15  2  0  0  0  0
 20  7  2  0  0  0  0
 20 10  1  0  0  0  0
 21  7  1  0  0  0  0
 21 15  1  0  0  0  0
 16 21  1  1  0  0  0
 22  5  1  0  0  0  0
 11 23  1  6  0  0  0
 12 24  1  6  0  0  0
 13 25  1  6  0  0  0
 26  3  1  0  0  0  0
 26  8  1  0  0  0  0
 27  9  1  0  0  0  0
 27 16  1  0  0  0  0
  9 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  6  0  0  0
 13 31  1  1  0  0  0
 16 32  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0012244

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(NCC4=CC=CO4)N=CN=C23)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1

> <INCHI_KEY>
OYLTWZIEBYEQGY-HDNYONAXSA-N

> <FORMULA>
C16H19N5O6

> <MOLECULAR_WEIGHT>
377.357

> <EXACT_MASS>
377.133533352

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
36.39215412208453

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-(6-{[(furan-2-yl)methyl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-1.634874971

> <ALOGPS_LOGS>
-2.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.26633611114044

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.357171042865112

> <JCHEM_PKA_STRONGEST_BASIC>
3.676613804353573

> <JCHEM_POLAR_SURFACE_AREA>
158.92

> <JCHEM_REFRACTIVITY>
91.65499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.07e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]purin-9-yl}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0012244
     RDKit          3D
Kinetin-9-N-glucoside
 46 49  0  0  0  0  0  0  0  0999 V2000
   -4.4323   -1.3980    3.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7575   -0.6412    2.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7144    0.4676    1.8253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4577   -0.0488    1.6471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8594    0.2547    0.4540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6258   -0.4910    0.3586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066   -1.7120    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -2.1097    0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261   -1.1135   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873   -0.9323   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -1.9609   -0.5171 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9598   -1.7922   -1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395   -0.6242   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    0.0991    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959    1.0900    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    0.9264   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7929   -0.0934   -0.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.1934   -1.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.1711   -1.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    1.0111   -0.9293 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033   -0.0965   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -0.0498   -0.6937 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1340    0.0875   -1.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167    0.9671   -0.6236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0742    0.5113   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484    1.4490    0.7863 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4710    2.6562    1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7392   -0.9991    3.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8592   -1.2670    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7494   -0.1955    2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060    1.0167    2.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    1.3474    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359   -2.3108    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4089   -2.8427   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5607   -2.6869   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -1.6777   -2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   -0.0256    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0350    1.8417    1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028    1.5231   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    2.0785   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967   -1.0727   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017   -0.0599   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5686    1.8562   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7958    0.5635   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2257    1.6736    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690    3.4164    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 10 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  5 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26  3  1  0
 21  6  1  0
 21  9  1  0
 17 13  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  1
  5 32  1  1
  7 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
 22 41  1  1
 23 42  1  0
 24 43  1  6
 25 44  1  0
 26 45  1  6
 27 46  1  0
M  END

HEADER    PROTEIN                                 22-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUN-20         0                                  
HETATM    1  C   UNK     0       5.488  10.603   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.012   9.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.028  10.603   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.258   6.693   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.839  -1.973   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.258   8.233   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.332  -1.653   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.698  -2.797   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.204  -2.477   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.680  -1.012   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.650   0.132   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       4.924   5.923   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0       6.258   3.613   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       4.924   1.303   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       2.126   4.089   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       2.126   1.597   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      -2.315  -3.437   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.222  -4.262   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.235  -3.621   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       4.187  -0.692   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       7.503   9.138   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.143  -0.188   0.000  0.00  0.00           O+0
HETATM   28  H   UNK     0      -0.808  -3.117   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       1.728  -3.941   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       1.174  -1.332   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       3.711  -2.157   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0       3.156   0.452   0.000  0.00  0.00           H+0
CONECT    1    2    3                                                       
CONECT    2    1    8                                                       
CONECT    3    1   26                                                       
CONECT    4    8   17                                                       
CONECT    5    9   22                                                       
CONECT    6   18   19                                                       
CONECT    7   20   21                                                       
CONECT    8    2    4   26                                                  
CONECT    9    5   11   27   28                                             
CONECT   10   14   15   20                                                  
CONECT   11    9   12   23   29                                             
CONECT   12   11   13   24   30                                             
CONECT   13   12   16   25   31                                             
CONECT   14   10   17   18                                                  
CONECT   15   10   19   21                                                  
CONECT   16   13   21   27   32                                             
CONECT   17    4   14                                                       
CONECT   18    6   14                                                       
CONECT   19    6   15                                                       
CONECT   20    7   10                                                       
CONECT   21    7   15   16                                                  
CONECT   22    5                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   13                                                            
CONECT   26    3    8                                                       
CONECT   27    9   16                                                       
CONECT   28    9                                                            
CONECT   29   11                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   16                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0012244
HETATM    1  O1  UNL     1      -4.432  -1.398   3.146  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.758  -0.641   2.022  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.714   0.468   1.825  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.458  -0.049   1.647  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.859   0.255   0.454  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.626  -0.491   0.359  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.407  -1.712   0.872  1.00  0.00           C  
HETATM    8  N2  UNL     1       0.850  -2.110   0.599  1.00  0.00           N  
HETATM    9  C5  UNL     1       1.426  -1.113  -0.101  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.687  -0.932  -0.658  1.00  0.00           C  
HETATM   11  N3  UNL     1       3.648  -1.961  -0.517  1.00  0.00           N  
HETATM   12  C7  UNL     1       4.960  -1.792  -1.083  1.00  0.00           C  
HETATM   13  C8  UNL     1       5.639  -0.624  -0.467  1.00  0.00           C  
HETATM   14  C9  UNL     1       5.157   0.099   0.594  1.00  0.00           C  
HETATM   15  C10 UNL     1       6.096   1.090   0.844  1.00  0.00           C  
HETATM   16  C11 UNL     1       7.099   0.926  -0.069  1.00  0.00           C  
HETATM   17  O3  UNL     1       6.793  -0.093  -0.823  1.00  0.00           O  
HETATM   18  N4  UNL     1       2.987   0.193  -1.317  1.00  0.00           N  
HETATM   19  C12 UNL     1       2.090   1.171  -1.460  1.00  0.00           C  
HETATM   20  N5  UNL     1       0.871   1.011  -0.929  1.00  0.00           N  
HETATM   21  C13 UNL     1       0.503  -0.097  -0.253  1.00  0.00           C  
HETATM   22  C14 UNL     1      -2.796  -0.050  -0.694  1.00  0.00           C  
HETATM   23  O4  UNL     1      -2.134   0.088  -1.923  1.00  0.00           O  
HETATM   24  C15 UNL     1      -3.917   0.967  -0.624  1.00  0.00           C  
HETATM   25  O5  UNL     1      -5.074   0.511  -1.238  1.00  0.00           O  
HETATM   26  C16 UNL     1      -4.148   1.449   0.786  1.00  0.00           C  
HETATM   27  O6  UNL     1      -3.471   2.656   1.045  1.00  0.00           O  
HETATM   28  H1  UNL     1      -3.739  -0.999   3.703  1.00  0.00           H  
HETATM   29  H2  UNL     1      -4.859  -1.267   1.119  1.00  0.00           H  
HETATM   30  H3  UNL     1      -5.749  -0.196   2.219  1.00  0.00           H  
HETATM   31  H4  UNL     1      -3.706   1.017   2.809  1.00  0.00           H  
HETATM   32  H5  UNL     1      -1.599   1.347   0.358  1.00  0.00           H  
HETATM   33  H6  UNL     1      -1.136  -2.311   1.434  1.00  0.00           H  
HETATM   34  H7  UNL     1       3.409  -2.843  -0.004  1.00  0.00           H  
HETATM   35  H8  UNL     1       5.561  -2.687  -0.881  1.00  0.00           H  
HETATM   36  H9  UNL     1       4.875  -1.678  -2.188  1.00  0.00           H  
HETATM   37  H10 UNL     1       4.244  -0.026   1.164  1.00  0.00           H  
HETATM   38  H11 UNL     1       6.035   1.842   1.615  1.00  0.00           H  
HETATM   39  H12 UNL     1       8.003   1.523  -0.174  1.00  0.00           H  
HETATM   40  H13 UNL     1       2.308   2.079  -1.983  1.00  0.00           H  
HETATM   41  H14 UNL     1      -3.197  -1.073  -0.602  1.00  0.00           H  
HETATM   42  H15 UNL     1      -2.802  -0.060  -2.636  1.00  0.00           H  
HETATM   43  H16 UNL     1      -3.569   1.856  -1.207  1.00  0.00           H  
HETATM   44  H17 UNL     1      -5.796   0.563  -0.549  1.00  0.00           H  
HETATM   45  H18 UNL     1      -5.226   1.674   0.968  1.00  0.00           H  
HETATM   46  H19 UNL     1      -4.069   3.416   1.142  1.00  0.00           H  
CONECT    1    2   28
CONECT    2    3   29   30
CONECT    3    4   26   31
CONECT    4    5
CONECT    5    6   22   32
CONECT    6    7   21
CONECT    7    8    8   33
CONECT    8    9
CONECT    9   10   10   21
CONECT   10   11   18
CONECT   11   12   34
CONECT   12   13   35   36
CONECT   13   14   14   17
CONECT   14   15   37
CONECT   15   16   16   38
CONECT   16   17   39
CONECT   18   19   19
CONECT   19   20   40
CONECT   20   21   21
CONECT   22   23   24   41
CONECT   23   42
CONECT   24   25   26   43
CONECT   25   44
CONECT   26   27   45
CONECT   27   46
END

HMDB0012244
     RDKit          3D
Kinetin-9-N-glucoside
 46 49  0  0  0  0  0  0  0  0999 V2000
   -4.4323   -1.3980    3.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7575   -0.6412    2.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7144    0.4676    1.8253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4577   -0.0488    1.6471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8594    0.2547    0.4540 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6258   -0.4910    0.3586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066   -1.7120    0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498   -2.1097    0.5985 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261   -1.1135   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6873   -0.9323   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -1.9609   -0.5171 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9598   -1.7922   -1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395   -0.6242   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    0.0991    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959    1.0900    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    0.9264   -0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7929   -0.0934   -0.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.1934   -1.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0896    1.1711   -1.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8714    1.0111   -0.9293 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033   -0.0965   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -0.0498   -0.6937 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1340    0.0875   -1.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9167    0.9671   -0.6236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0742    0.5113   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484    1.4490    0.7863 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4710    2.6562    1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7392   -0.9991    3.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8592   -1.2670    1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7494   -0.1955    2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7060    1.0167    2.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    1.3474    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359   -2.3108    1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4089   -2.8427   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5607   -2.6869   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -1.6777   -2.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   -0.0256    1.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0350    1.8417    1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028    1.5231   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    2.0785   -1.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967   -1.0727   -0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8017   -0.0599   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5686    1.8562   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7958    0.5635   -0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2257    1.6736    0.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0690    3.4164    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 10 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  5 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26  3  1  0
 21  6  1  0
 21  9  1  0
 17 13  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  1
  5 32  1  1
  7 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 19 40  1  0
 22 41  1  1
 23 42  1  0
 24 43  1  6
 25 44  1  0
 26 45  1  6
 27 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Kinetin 9-glucoside	HMDB
N-(2-Furanylmethyl)-9-beta-D-glucopyranosyl-9H-purin-6-amine	HMDB
N-(2-Furanylmethyl)-9-β-D-glucopyranosyl-9H-purin-6-amine	HMDB
N-Furfuryl-9-beta-D-glucopyranosyladenine	HMDB
N-Furfuryl-9-β-D-glucopyranosyladenine	HMDB
Kinetin-9-N-glucoside	HMDB

Chemical Formula

C₁₆H₁₉N₅O₆

Average Molecular Weight

377.357

Monoisotopic Molecular Weight

377.133533352

IUPAC Name

(2R,3R,4S,5S,6R)-2-(6-{[(furan-2-yl)methyl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2R,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]purin-9-yl}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

98177-43-6

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC=CO3)N=CN=C12

InChI Identifier

InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1

InChI Key

OYLTWZIEBYEQGY-HDNYONAXSA-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
Imidazopyrimidine
Purine
Aminopyrimidine
Monosaccharide
N-substituted imidazole
Oxane
Pyrimidine
Imidolactam
Imidazole
Heteroaromatic compound
Furan
Azole
Secondary alcohol
Polyol
Azacycle
Oxacycle
Organoheterocyclic compound
Amine
Organonitrogen compound
Alcohol
Organic nitrogen compound
Primary alcohol
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0012244)

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)
Wampee (FooDB: FOOD00980)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
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

Not Available

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	2.07 g/L	ALOGPS
logP	-0.33	ALOGPS
logP	-1.6	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	12.36	ChemAxon
pKa (Strongest Basic)	3.68	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	158.92 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	91.66 m³·mol⁻¹	ChemAxon
Polarizability	36.39 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	210.888	30932474
DeepCCS	[M+Na]+	186.084	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kinetin-9-N-glucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3395.3	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3362.8	Standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	5948.1	Standard polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(NCC3=CC=CO3)N=CN=C21	3349.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(NCC3=CC=CO3)N=CN=C21	3300.2	Standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(NCC3=CC=CO3)N=CN=C21	5825.4	Standard polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O	3376.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O	3298.3	Standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O	5776.1	Standard polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O	3366.5	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O	3307.4	Standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O	5790.0	Standard polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #5	C[Si](C)(C)N(CC1=CC=CO1)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3321.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #5	C[Si](C)(C)N(CC1=CC=CO1)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3309.8	Standard non polar	33892256
Kinetin-9-N-glucoside,1TMS,isomer #5	C[Si](C)(C)N(CC1=CC=CO1)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5649.3	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3306.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3331.9	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	5338.8	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@H]1O	3244.0	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@H]1O	3267.6	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@H]1O	4954.1	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3323.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3322.9	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	5290.6	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3328.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3324.9	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	5296.7	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3254.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3326.1	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	5115.9	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C	3297.0	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C	3275.8	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C	5220.0	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)O[C@@H]1CO	3294.5	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)O[C@@H]1CO	3286.9	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)O[C@@H]1CO	5162.6	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N(CC3=CC=CO3)[Si](C)(C)C)N=CN=C21	3229.9	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N(CC3=CC=CO3)[Si](C)(C)C)N=CN=C21	3255.7	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N(CC3=CC=CO3)[Si](C)(C)C)N=CN=C21	4996.7	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C	3310.4	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C	3284.4	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C	5176.8	Standard polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3244.6	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3252.0	Standard non polar	33892256
Kinetin-9-N-glucoside,2TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4941.6	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3294.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3277.1	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4875.8	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C	3218.5	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C	3219.4	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C	4468.0	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3307.3	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3291.1	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4806.8	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3210.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3268.5	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4613.4	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3314.4	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3266.5	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4824.4	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3223.3	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3249.8	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4561.3	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3233.3	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3255.5	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4570.5	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C	3303.2	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C	3251.3	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C	4775.2	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3208.2	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3209.8	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	4513.0	Standard polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)O[C@@H]1CO	3204.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)O[C@@H]1CO	3225.9	Standard non polar	33892256
Kinetin-9-N-glucoside,3TMS,isomer #9	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)O[C@@H]1CO	4457.6	Standard polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3350.0	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3225.9	Standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4476.7	Standard polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3241.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3181.1	Standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4210.9	Standard polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3251.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3200.1	Standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4151.2	Standard polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3258.2	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3170.5	Standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4161.5	Standard polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3253.0	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3150.1	Standard non polar	33892256
Kinetin-9-N-glucoside,4TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	4129.0	Standard polar	33892256
Kinetin-9-N-glucoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3309.3	Semi standard non polar	33892256
Kinetin-9-N-glucoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3115.4	Standard non polar	33892256
Kinetin-9-N-glucoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3852.0	Standard polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3596.9	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3560.5	Standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	5887.0	Standard polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(NCC3=CC=CO3)N=CN=C21	3560.6	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(NCC3=CC=CO3)N=CN=C21	3515.2	Standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(NCC3=CC=CO3)N=CN=C21	5767.4	Standard polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O	3578.9	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O	3514.8	Standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O	5721.3	Standard polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O	3577.4	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O	3525.9	Standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O	5730.5	Standard polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3521.5	Semi standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3475.9	Standard non polar	33892256
Kinetin-9-N-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5520.4	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3669.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3726.4	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	5293.3	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@H]1O	3601.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@H]1O	3624.9	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@H]1O	4888.8	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3672.5	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3715.4	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	5248.0	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3677.4	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3717.7	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	5254.9	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3611.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	3650.4	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O	5014.8	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3636.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3681.0	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	5201.6	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)O[C@@H]1CO	3628.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)O[C@@H]1CO	3694.1	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)O[C@@H]1CO	5149.1	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N(CC3=CC=CO3)[Si](C)(C)C(C)(C)C)N=CN=C21	3586.6	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N(CC3=CC=CO3)[Si](C)(C)C(C)(C)C)N=CN=C21	3618.4	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N(CC3=CC=CO3)[Si](C)(C)C(C)(C)C)N=CN=C21	4926.5	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3643.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3688.9	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5163.5	Standard polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	3598.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	3610.7	Standard non polar	33892256
Kinetin-9-N-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	4879.2	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3797.0	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3845.3	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4904.7	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3707.8	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3745.8	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4531.0	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3807.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3865.5	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4848.8	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3707.3	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3778.5	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4634.4	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3820.9	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3835.8	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4864.0	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3719.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3757.6	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4599.0	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3726.2	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3757.7	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4600.5	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3791.2	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3826.1	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4829.9	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3704.2	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3739.7	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4563.2	Standard polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)O[C@@H]1CO	3697.6	Semi standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)O[C@@H]1CO	3758.1	Standard non polar	33892256
Kinetin-9-N-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)O[C@@H]1CO	4522.1	Standard polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[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	3986.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[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	3940.9	Standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(NCC4=CC=CO4)N=CN=C32)[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	4640.5	Standard polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3876.6	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3830.6	Standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4382.9	Standard polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3882.7	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3857.8	Standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4332.2	Standard polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3896.0	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3818.3	Standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4344.4	Standard polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3874.1	Semi standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3813.7	Standard non polar	33892256
Kinetin-9-N-glucoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](N2C=NC3=C(N(CC4=CC=CO4)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4313.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Kinetin-9-N-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kinetin-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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 10V, Negative-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 20V, Negative-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 40V, Negative-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 10V, Negative-QTOF	splash10-004i-0029000000-9ef7c68955ed260575fe	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 20V, Negative-QTOF	splash10-03di-0092000000-bd9fe1b2ec31c2aa6186	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 40V, Negative-QTOF	splash10-001i-3920000000-2087eb98b9cc6b3e2d34	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 10V, Positive-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 20V, Positive-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 40V, Positive-QTOF	Not Available	2020-06-30	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 10V, Positive-QTOF	splash10-00or-0059000000-7dedb0cc99826418e62f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 20V, Positive-QTOF	splash10-014i-1190000000-bc8d2894fe0a7d1e5b5b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kinetin-9-N-glucoside 40V, Positive-QTOF	splash10-001i-9420000000-4f6070d807acf2476ff9	2021-09-23	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

HMDB0012244

KNApSAcK ID

Not Available

Chemspider ID

9720093

KEGG Compound ID

Not Available

BioCyc ID

CPD-4611

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11545314

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Kinetin-9-N-glucoside (HMDB0012244)

MOL for HMDB0012244 (Kinetin-9-N-glucoside)

3D MOL for HMDB0012244 (Kinetin-9-N-glucoside)

3D SDF for HMDB0012244 (Kinetin-9-N-glucoside)

3D-SDF for HMDB0012244 (Kinetin-9-N-glucoside)

PDB for HMDB0012244 (Kinetin-9-N-glucoside)

3D PDB for HMDB0012244 (Kinetin-9-N-glucoside)

SMILES for HMDB0012244 (Kinetin-9-N-glucoside)

INCHI for HMDB0012244 (Kinetin-9-N-glucoside)

Structure for HMDB0012244 (Kinetin-9-N-glucoside)

3D Structure for HMDB0012244 (Kinetin-9-N-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra