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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:04:30 UTC

Update Date

2022-03-07 02:56:15 UTC

HMDB ID

HMDB0039573

Secondary Accession Numbers

HMDB39573

Metabolite Identification

Common Name

Geranyl arabinopyranosyl-glucoside

Description

Geranyl arabinopyranosyl-glucoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on Geranyl arabinopyranosyl-glucoside.

Structure

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

  Mrv0541 02241216542D          

 31 32  0  0  0  0            999 V2000
    4.2873    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2873    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4287   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0010   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END

HMDB0039573
     RDKit          3D
Geranyl arabinopyranosyl-glucoside
 67 68  0  0  0  0  0  0  0  0999 V2000
    6.8612    1.6404    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4053    0.3590    0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8610    0.1495    1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891   -0.5915   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -0.8929   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553   -0.2644   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -0.4596    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2041   -0.0461    2.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -1.0497    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -1.5291   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394   -0.8324   -0.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.2456   -1.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -1.7255   -1.3979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3120   -0.8517   -0.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130   -0.9944   -1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503   -0.2322   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0607   -0.5081    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709   -1.0079    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3256    0.0083    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3100    0.7370    1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2954    0.2607    2.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9145    0.6013    2.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7230    1.6166    3.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9214    0.7258    1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696    1.9023    0.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    0.5677   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299    0.8814    0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330    1.0227   -1.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    2.0376   -2.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686   -0.0995   -2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    0.2520   -3.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6588    2.4453    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5999    1.5238    2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9931    2.0350    0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3887    1.0513    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743    0.2228    2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2523   -0.7932    0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -1.4544   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890   -0.7464   -1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5451   -2.0462   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -0.3973   -1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154    0.8667   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576    1.0690    2.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2169   -0.4255    2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176   -0.3728    2.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -1.1902    1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.6493   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129   -2.6000   -0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -2.0083   -2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -1.2112    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -2.0534   -1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -0.7300   -2.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4349   -1.3169    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3112   -0.4957    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2473    0.6968   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4805    1.8147    1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0315    0.9091    2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7911   -0.3781    2.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6186    2.4917    2.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    0.7364    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110    1.7932   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    1.2178   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    0.1044    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    1.5180   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550    2.7799   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -0.4091   -3.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692    0.7948   -4.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  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
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 12  1  0
 24 17  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
 10 47  1  0
 10 48  1  0
 12 49  1  0
 14 50  1  0
 15 51  1  0
 15 52  1  0
 17 53  1  0
 19 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 31 67  1  0
M  END

  Mrv0541 02241216542D          

 31 32  0  0  0  0            999 V2000
    4.2873    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2873    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4287   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0010   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7149   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1437   -2.6813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 31  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039573

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-

> <INCHI_KEY>
IEGFOTASSBZIBZ-GHXNOFRVSA-N

> <FORMULA>
C21H36O10

> <MOLECULAR_WEIGHT>
448.5045

> <EXACT_MASS>
448.230847372

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
47.48653023092218

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.27

> <JCHEM_LOGP>
-0.40895305333333265

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.461933692432847

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.92806549641015

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
158.3

> <JCHEM_REFRACTIVITY>
110.04619999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.48e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039573
     RDKit          3D
Geranyl arabinopyranosyl-glucoside
 67 68  0  0  0  0  0  0  0  0999 V2000
    6.8612    1.6404    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4053    0.3590    0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8610    0.1495    1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891   -0.5915   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -0.8929   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553   -0.2644   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -0.4596    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2041   -0.0461    2.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -1.0497    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -1.5291   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394   -0.8324   -0.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.2456   -1.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -1.7255   -1.3979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3120   -0.8517   -0.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130   -0.9944   -1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503   -0.2322   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0607   -0.5081    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709   -1.0079    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3256    0.0083    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3100    0.7370    1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2954    0.2607    2.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9145    0.6013    2.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7230    1.6166    3.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9214    0.7258    1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696    1.9023    0.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    0.5677   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299    0.8814    0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330    1.0227   -1.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    2.0376   -2.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686   -0.0995   -2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    0.2520   -3.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6588    2.4453    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5999    1.5238    2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9931    2.0350    0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3887    1.0513    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743    0.2228    2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2523   -0.7932    0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -1.4544   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890   -0.7464   -1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5451   -2.0462   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -0.3973   -1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154    0.8667   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576    1.0690    2.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2169   -0.4255    2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176   -0.3728    2.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -1.1902    1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.6493   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129   -2.6000   -0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -2.0083   -2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -1.2112    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -2.0534   -1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -0.7300   -2.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4349   -1.3169    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3112   -0.4957    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2473    0.6968   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4805    1.8147    1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0315    0.9091    2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7911   -0.3781    2.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6186    2.4917    2.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    0.7364    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110    1.7932   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    1.2178   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    0.1044    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    1.5180   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550    2.7799   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -0.4091   -3.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692    0.7948   -4.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  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
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 12  1  0
 24 17  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
 10 47  1  0
 10 48  1  0
 12 49  1  0
 14 50  1  0
 15 51  1  0
 15 52  1  0
 17 53  1  0
 19 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 31 67  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       8.003   6.545   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.003   5.005   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.335   4.235   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   4.235   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.336   5.005   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   4.235   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   5.005   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   6.545   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   4.235   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   2.695   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.000   1.925   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.000   0.385   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.335  -0.385   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.335  -1.925   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667  -2.695   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.002  -1.925   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -5.334  -2.695   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -6.668  -1.925   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -8.003  -2.695   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.003  -4.235   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -9.335  -5.005   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667   0.385   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.334  -0.385   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -1.925   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.000  -2.695   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.000  -4.235   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.668  -6.545   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -6.668  -5.005   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.334  -4.235   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -4.002  -5.005   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.667  -2.695   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   25                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   29                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20                                                            
CONECT   22   23                                                            
CONECT   23   12   22   24                                                  
CONECT   24   23   25   31                                                  
CONECT   25   14   24   26                                                  
CONECT   26   25                                                            
CONECT   27   28                                                            
CONECT   28   20   27   29                                                  
CONECT   29   17   28   30                                                  
CONECT   30   29                                                            
CONECT   31   24                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   64    0
END

COMPND    HMDB0039573
HETATM    1  C1  UNL     1       6.861   1.640   1.001  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.405   0.359   0.560  1.00  0.00           C  
HETATM    3  C3  UNL     1       8.861   0.149   1.061  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.889  -0.591  -0.151  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.649  -0.893  -0.820  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.355  -0.264  -0.580  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.673  -0.460   0.699  1.00  0.00           C  
HETATM    8  C8  UNL     1       4.204  -0.046   2.034  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.476  -1.050   0.710  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.777  -1.529  -0.461  1.00  0.00           C  
HETATM   11  O1  UNL     1       0.539  -0.832  -0.548  1.00  0.00           O  
HETATM   12  C11 UNL     1      -0.179  -1.246  -1.651  1.00  0.00           C  
HETATM   13  O2  UNL     1      -1.428  -1.725  -1.398  1.00  0.00           O  
HETATM   14  C12 UNL     1      -2.312  -0.852  -0.800  1.00  0.00           C  
HETATM   15  C13 UNL     1      -3.613  -0.994  -1.553  1.00  0.00           C  
HETATM   16  O3  UNL     1      -4.650  -0.232  -1.114  1.00  0.00           O  
HETATM   17  C14 UNL     1      -5.061  -0.508   0.166  1.00  0.00           C  
HETATM   18  O4  UNL     1      -6.371  -1.008   0.204  1.00  0.00           O  
HETATM   19  C15 UNL     1      -7.326   0.008   0.229  1.00  0.00           C  
HETATM   20  C16 UNL     1      -7.310   0.737   1.566  1.00  0.00           C  
HETATM   21  O5  UNL     1      -8.295   0.261   2.398  1.00  0.00           O  
HETATM   22  C17 UNL     1      -5.915   0.601   2.162  1.00  0.00           C  
HETATM   23  O6  UNL     1      -5.723   1.617   3.088  1.00  0.00           O  
HETATM   24  C18 UNL     1      -4.921   0.726   1.014  1.00  0.00           C  
HETATM   25  O7  UNL     1      -5.170   1.902   0.321  1.00  0.00           O  
HETATM   26  C19 UNL     1      -1.872   0.568  -0.755  1.00  0.00           C  
HETATM   27  O8  UNL     1      -1.330   0.881   0.494  1.00  0.00           O  
HETATM   28  C20 UNL     1      -0.933   1.023  -1.806  1.00  0.00           C  
HETATM   29  O9  UNL     1      -1.474   2.038  -2.632  1.00  0.00           O  
HETATM   30  C21 UNL     1      -0.369  -0.099  -2.656  1.00  0.00           C  
HETATM   31  O10 UNL     1       0.852   0.252  -3.204  1.00  0.00           O  
HETATM   32  H1  UNL     1       7.659   2.445   1.033  1.00  0.00           H  
HETATM   33  H2  UNL     1       6.600   1.524   2.098  1.00  0.00           H  
HETATM   34  H3  UNL     1       5.993   2.035   0.476  1.00  0.00           H  
HETATM   35  H4  UNL     1       9.389   1.051   0.694  1.00  0.00           H  
HETATM   36  H5  UNL     1       8.774   0.223   2.158  1.00  0.00           H  
HETATM   37  H6  UNL     1       9.252  -0.793   0.683  1.00  0.00           H  
HETATM   38  H7  UNL     1       7.696  -1.454  -0.278  1.00  0.00           H  
HETATM   39  H8  UNL     1       5.889  -0.746  -1.952  1.00  0.00           H  
HETATM   40  H9  UNL     1       5.545  -2.046  -0.807  1.00  0.00           H  
HETATM   41  H10 UNL     1       3.648  -0.397  -1.459  1.00  0.00           H  
HETATM   42  H11 UNL     1       4.515   0.867  -0.655  1.00  0.00           H  
HETATM   43  H12 UNL     1       4.258   1.069   2.003  1.00  0.00           H  
HETATM   44  H13 UNL     1       5.217  -0.425   2.173  1.00  0.00           H  
HETATM   45  H14 UNL     1       3.518  -0.373   2.855  1.00  0.00           H  
HETATM   46  H15 UNL     1       1.968  -1.190   1.676  1.00  0.00           H  
HETATM   47  H16 UNL     1       2.279  -1.649  -1.401  1.00  0.00           H  
HETATM   48  H17 UNL     1       1.413  -2.600  -0.218  1.00  0.00           H  
HETATM   49  H18 UNL     1       0.400  -2.008  -2.172  1.00  0.00           H  
HETATM   50  H19 UNL     1      -2.478  -1.211   0.230  1.00  0.00           H  
HETATM   51  H20 UNL     1      -3.954  -2.053  -1.594  1.00  0.00           H  
HETATM   52  H21 UNL     1      -3.466  -0.730  -2.646  1.00  0.00           H  
HETATM   53  H22 UNL     1      -4.435  -1.317   0.579  1.00  0.00           H  
HETATM   54  H23 UNL     1      -8.311  -0.496   0.153  1.00  0.00           H  
HETATM   55  H24 UNL     1      -7.247   0.697  -0.626  1.00  0.00           H  
HETATM   56  H25 UNL     1      -7.480   1.815   1.365  1.00  0.00           H  
HETATM   57  H26 UNL     1      -9.031   0.909   2.558  1.00  0.00           H  
HETATM   58  H27 UNL     1      -5.791  -0.378   2.647  1.00  0.00           H  
HETATM   59  H28 UNL     1      -5.619   2.492   2.607  1.00  0.00           H  
HETATM   60  H29 UNL     1      -3.899   0.736   1.440  1.00  0.00           H  
HETATM   61  H30 UNL     1      -5.111   1.793  -0.648  1.00  0.00           H  
HETATM   62  H31 UNL     1      -2.788   1.218  -0.854  1.00  0.00           H  
HETATM   63  H32 UNL     1      -1.460   0.104   1.091  1.00  0.00           H  
HETATM   64  H33 UNL     1      -0.025   1.518  -1.350  1.00  0.00           H  
HETATM   65  H34 UNL     1      -1.755   2.780  -2.040  1.00  0.00           H  
HETATM   66  H35 UNL     1      -1.122  -0.409  -3.392  1.00  0.00           H  
HETATM   67  H36 UNL     1       0.669   0.795  -4.002  1.00  0.00           H  
CONECT    1    2   32   33   34
CONECT    2    3    4    4
CONECT    3   35   36   37
CONECT    4    5   38
CONECT    5    6   39   40
CONECT    6    7   41   42
CONECT    7    8    9    9
CONECT    8   43   44   45
CONECT    9   10   46
CONECT   10   11   47   48
CONECT   11   12
CONECT   12   13   30   49
CONECT   13   14
CONECT   14   15   26   50
CONECT   15   16   51   52
CONECT   16   17
CONECT   17   18   24   53
CONECT   18   19
CONECT   19   20   54   55
CONECT   20   21   22   56
CONECT   21   57
CONECT   22   23   24   58
CONECT   23   59
CONECT   24   25   60
CONECT   25   61
CONECT   26   27   28   62
CONECT   27   63
CONECT   28   29   30   64
CONECT   29   65
CONECT   30   31   66
CONECT   31   67
END

HMDB0039573
     RDKit          3D
Geranyl arabinopyranosyl-glucoside
 67 68  0  0  0  0  0  0  0  0999 V2000
    6.8612    1.6404    1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4053    0.3590    0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8610    0.1495    1.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891   -0.5915   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -0.8929   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553   -0.2644   -0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726   -0.4596    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2041   -0.0461    2.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -1.0497    0.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -1.5291   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394   -0.8324   -0.5477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.2456   -1.6509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -1.7255   -1.3979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3120   -0.8517   -0.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130   -0.9944   -1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6503   -0.2322   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0607   -0.5081    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3709   -1.0079    0.2037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3256    0.0083    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3100    0.7370    1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2954    0.2607    2.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9145    0.6013    2.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7230    1.6166    3.0882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9214    0.7258    1.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1696    1.9023    0.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8720    0.5677   -0.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299    0.8814    0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330    1.0227   -1.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    2.0376   -2.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3686   -0.0995   -2.6560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    0.2520   -3.2045 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6588    2.4453    1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5999    1.5238    2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9931    2.0350    0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3887    1.0513    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743    0.2228    2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2523   -0.7932    0.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -1.4544   -0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890   -0.7464   -1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5451   -2.0462   -0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481   -0.3973   -1.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5154    0.8667   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2576    1.0690    2.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2169   -0.4255    2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176   -0.3728    2.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -1.1902    1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788   -1.6493   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129   -2.6000   -0.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003   -2.0083   -2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4779   -1.2112    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542   -2.0534   -1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657   -0.7300   -2.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4349   -1.3169    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3112   -0.4957    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2473    0.6968   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4805    1.8147    1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0315    0.9091    2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7911   -0.3781    2.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6186    2.4917    2.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8990    0.7364    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1110    1.7932   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    1.2178   -0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4605    0.1044    1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    1.5180   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7550    2.7799   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220   -0.4091   -3.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692    0.7948   -4.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  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
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 14 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 12  1  0
 24 17  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  3 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
 10 47  1  0
 10 48  1  0
 12 49  1  0
 14 50  1  0
 15 51  1  0
 15 52  1  0
 17 53  1  0
 19 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 31 67  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Geranyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside	HMDB
Geranyl 6-O-xylopyranosyl-glucopyranoside	HMDB
Kenposide a	HMDB
GXPGP	MeSH
Geranyl 1-O-arabinopyranosyl-1-6-glucopyranoside	MeSH
Sacranoside b	MeSH

Chemical Formula

C₂₁H₃₆O₁₀

Average Molecular Weight

448.5045

Monoisotopic Molecular Weight

448.230847372

IUPAC Name

2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Traditional Name

2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

CAS Registry Number

150995-11-2

SMILES

CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H36O10/c1-11(2)5-4-6-12(3)7-8-28-21-19(27)17(25)16(24)14(31-21)10-30-20-18(26)15(23)13(22)9-29-20/h5,7,13-27H,4,6,8-10H2,1-3H3/b12-7-

InChI Key

IEGFOTASSBZIBZ-GHXNOFRVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Monocyclic monoterpenoid
Monoterpenoid
Fatty acyl
Oxane
Secondary alcohol
Oxacycle
Acetal
Organoheterocyclic compound
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0039573)

Food

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Endogenous (HMDB: HMDB0039573)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.48 g/L	ALOGPS
logP	-0.27	ALOGPS
logP	-0.41	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	11.93	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	158.3 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	110.05 m³·mol⁻¹	ChemAxon
Polarizability	47.49 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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
DarkChem	[M+H]+	204.835	31661259
DarkChem	[M-H]-	197.575	31661259
DeepCCS	[M+H]+	201.967	30932474
DeepCCS	[M-H]-	199.479	30932474
DeepCCS	[M-2H]-	234.025	30932474
DeepCCS	[M+Na]+	210.034	30932474
AllCCS	[M+H]+	210.0	32859911
AllCCS	[M+H-H2O]+	208.1	32859911
AllCCS	[M+NH4]+	211.8	32859911
AllCCS	[M+Na]+	212.3	32859911
AllCCS	[M-H]-	200.8	32859911
AllCCS	[M+Na-2H]-	202.5	32859911
AllCCS	[M+HCOO]-	204.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Geranyl arabinopyranosyl-glucoside	CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	3373.3	Standard polar	33892256
Geranyl arabinopyranosyl-glucoside	CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	3481.1	Standard non polar	33892256
Geranyl arabinopyranosyl-glucoside	CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O	3421.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Geranyl arabinopyranosyl-glucoside,1TMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3460.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3425.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3445.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3478.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3449.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3465.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3375.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #10	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3394.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #11	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3357.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #12	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3394.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #13	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3391.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #14	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3411.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #15	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3405.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3379.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3402.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3367.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3397.2	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3362.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #7	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3365.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #8	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3341.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TMS,isomer #9	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3361.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3368.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #10	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3326.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #11	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3307.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #12	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3282.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #13	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3311.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #14	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3285.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #15	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3324.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #16	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3295.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #17	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3306.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #18	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3348.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #19	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3319.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3306.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #20	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3403.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3279.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3311.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3344.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3315.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #7	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3348.2	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #8	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3311.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TMS,isomer #9	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3356.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3321.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #10	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3351.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #11	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3265.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #12	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3303.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #13	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3269.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #14	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3312.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #15	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3340.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3284.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3320.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3251.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3296.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3257.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #7	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3298.2	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #8	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3346.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,4TMS,isomer #9	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3303.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,5TMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3274.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,5TMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3307.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,5TMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3276.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,5TMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3295.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,5TMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3328.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,5TMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3301.2	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,6TMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3313.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TBDMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	3710.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TBDMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3670.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TBDMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3694.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TBDMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3725.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TBDMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3694.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,1TBDMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3717.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	3814.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #10	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3814.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #11	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3785.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #12	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3814.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #13	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3836.4	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #14	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3860.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #15	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3853.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3827.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3836.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3807.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3835.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3810.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #7	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3794.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #8	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3775.5	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,2TBDMS,isomer #9	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3795.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #1	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3984.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #10	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3982.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #11	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3951.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #12	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3939.2	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #13	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3945.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #14	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3942.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #15	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3971.1	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #16	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3954.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #17	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3944.3	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #18	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3977.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #19	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3956.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #2	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3953.2	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #20	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4029.8	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #3	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3940.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #4	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3949.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #5	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3979.9	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #6	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3961.7	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #7	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3974.6	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #8	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3967.0	Semi standard non polar	33892256
Geranyl arabinopyranosyl-glucoside,3TBDMS,isomer #9	CC(C)=CCC/C(C)=C\COC1OC(COC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4007.6	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 - Geranyl arabinopyranosyl-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-001r-6777900000-f60ee6d3198f8f7a4c9f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Geranyl arabinopyranosyl-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-0f72-7422139000-79f7a4e65774547155c3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Geranyl arabinopyranosyl-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 - Geranyl arabinopyranosyl-glucoside 10V, Positive-QTOF	splash10-000t-0511900000-2a6d03ff97b364fe2455	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 20V, Positive-QTOF	splash10-0a4r-2911100000-e4fff3b6f5abdbaf7275	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 40V, Positive-QTOF	splash10-0cl9-7911100000-4ae7fdc3d8f3b7080212	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 10V, Negative-QTOF	splash10-0002-2932700000-b0f71cfa178b3d811865	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 20V, Negative-QTOF	splash10-001m-2921100000-3522eac6eb8f48f609cd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 40V, Negative-QTOF	splash10-0006-9610000000-3d9183fc5979ab7b3dc9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 10V, Negative-QTOF	splash10-0002-0111900000-cb0a56fa20b9874a047e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 20V, Negative-QTOF	splash10-06dr-5829000000-d7d0cfe49ddbfc64e956	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 40V, Negative-QTOF	splash10-0a4u-9421000000-08d22560ead78e84fcfa	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 10V, Positive-QTOF	splash10-001i-9300100000-5bed90e28903f6d8d2c7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 20V, Positive-QTOF	splash10-053s-9100000000-509d022b4ac678f3edca	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geranyl arabinopyranosyl-glucoside 40V, Positive-QTOF	splash10-0ar3-9300000000-510b31d91e966ee0e1b4	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

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

FDB019195

KNApSAcK ID

C00030606

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752681

PDB ID

Not Available

ChEBI ID

168944

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Geranyl arabinopyranosyl-glucoside (HMDB0039573)

MOL for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

3D MOL for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

3D SDF for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

3D-SDF for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

PDB for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

3D PDB for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

SMILES for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

INCHI for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

Structure for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

3D Structure for HMDB0039573 (Geranyl arabinopyranosyl-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra