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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 12:14:26 UTC

Update Date

2021-09-24 12:14:27 UTC

HMDB ID

HMDB0304763

Secondary Accession Numbers

None

Metabolite Identification

Common Name

beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose

Description

beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Based on a literature review a significant number of articles have been published on beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose.

Structure

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

  Mrv1652304032018332D          

 29 30  0  0  0  0            999 V2000
    4.3521    3.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2526   -1.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887    0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    2.8009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0811   -1.1163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9000    3.2858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6331   -0.5032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2326    2.8009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2206    0.2113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4875    2.0163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4137    0.0398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5236    3.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372   -2.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762   -0.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    4.1108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4536   -0.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5562    0.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6805    1.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3274    0.8602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3274   -0.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    3.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030   -1.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4627    3.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744   -1.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    3.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0445    0.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  6  2  1  1  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  6  0  0  0
 11  9  1  0  0  0  0
 12  3  1  1  0  0  0
 12 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
  7 16  1  6  0  0  0
  8 17  1  6  0  0  0
  9 18  1  1  0  0  0
 10 19  1  1  0  0  0
 11 20  1  1  0  0  0
 21  4  1  0  0  0  0
 12 21  1  6  0  0  0
 22  5  1  0  0  0  0
 22 11  1  0  0  0  0
 23  6  1  0  0  0  0
 23 12  1  0  0  0  0
  5 24  1  6  0  0  0
  6 25  1  6  0  0  0
  7 26  1  1  0  0  0
  8 27  1  1  0  0  0
  9 28  1  6  0  0  0
 10 29  1  6  0  0  0
M  END

HMDB0304763
     RDKit          3D
beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.4357    1.1163    3.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1358    0.8434    2.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204    0.6172    1.0739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3184   -0.4380    1.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798   -0.8609    0.2111 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6132   -2.3832    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -3.0264   -0.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -0.2500    0.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954   -0.4625   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    0.3311   -0.5226 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2847    1.6850   -0.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860   -0.0248    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    0.0289    0.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3159    0.8472    1.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    0.2466    2.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.5386   -0.8990 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0339   -0.1000   -1.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    0.2182   -1.6456 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4130    1.0981   -2.6756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747   -0.4652   -0.9133 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8978   -1.5073   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.1073   -0.2092 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3958    1.1219   -0.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097    2.0895    3.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.0697    2.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7588    1.7250    1.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012    1.5571    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355   -2.7897    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849   -2.5971    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -3.5597   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    0.0023   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -1.4827   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365    2.1088   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481   -1.0097    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385    1.8673    1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.9805    1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608    0.3008    3.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    1.6379   -0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229    0.5995   -1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -0.8432   -1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    0.7445   -3.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    0.3957   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -1.1128   -2.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4965   -0.6976    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    0.8717   -1.0649 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
  5  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 18 10  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  6 28  1  0
  6 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 11 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

  Mrv1652304032018332D          

 29 30  0  0  0  0            999 V2000
    4.3521    3.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2526   -1.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887    0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675    2.8009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0811   -1.1163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9000    3.2858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6331   -0.5032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2326    2.8009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2206    0.2113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4875    2.0163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4137    0.0398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5236    3.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372   -2.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762   -0.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    4.1108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4536   -0.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5562    0.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6805    1.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3274    0.8602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3125    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3274   -0.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    3.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030   -1.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4627    3.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744   -1.1258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    3.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0445    0.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  6  2  1  1  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  6  0  0  0
 11  9  1  0  0  0  0
 12  3  1  1  0  0  0
 12 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
  7 16  1  6  0  0  0
  8 17  1  6  0  0  0
  9 18  1  1  0  0  0
 10 19  1  1  0  0  0
 11 20  1  1  0  0  0
 21  4  1  0  0  0  0
 12 21  1  6  0  0  0
 22  5  1  0  0  0  0
 22 11  1  0  0  0  0
 23  6  1  0  0  0  0
 23 12  1  0  0  0  0
  5 24  1  6  0  0  0
  6 25  1  6  0  0  0
  7 26  1  1  0  0  0
  8 27  1  1  0  0  0
  9 28  1  6  0  0  0
 10 29  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0304763

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(O)[C@@]([H])(CO)O[C@](O)(CO[C@@]2(CO)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1

> <INCHI_KEY>
WOHYVFWWTVNXTP-IYDDCBTQSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.2965

> <EXACT_MASS>
342.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.35180516224637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol

> <ALOGPS_LOGP>
-2.80

> <JCHEM_LOGP>
-4.354295063666667

> <ALOGPS_LOGS>
0.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.008159224268773

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.261536610952378

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9814289697182543

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
69.2115

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.31e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304763
     RDKit          3D
beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.4357    1.1163    3.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1358    0.8434    2.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204    0.6172    1.0739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3184   -0.4380    1.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798   -0.8609    0.2111 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6132   -2.3832    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -3.0264   -0.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -0.2500    0.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954   -0.4625   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    0.3311   -0.5226 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2847    1.6850   -0.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860   -0.0248    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    0.0289    0.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3159    0.8472    1.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    0.2466    2.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.5386   -0.8990 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0339   -0.1000   -1.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    0.2182   -1.6456 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4130    1.0981   -2.6756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747   -0.4652   -0.9133 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8978   -1.5073   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.1073   -0.2092 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3958    1.1219   -0.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097    2.0895    3.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.0697    2.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7588    1.7250    1.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012    1.5571    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355   -2.7897    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849   -2.5971    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -3.5597   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    0.0023   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -1.4827   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365    2.1088   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481   -1.0097    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385    1.8673    1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.9805    1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608    0.3008    3.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    1.6379   -0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229    0.5995   -1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -0.8432   -1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    0.7445   -3.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    0.3957   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -1.1128   -2.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4965   -0.6976    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    0.8717   -1.0649 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
  5  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 18 10  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  6 28  1  0
  6 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 11 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

HEADER    PROTEIN                                 03-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-APR-20         0                                  
HETATM    1  C   UNK     0       8.124   5.704   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.938  -3.590   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.832   0.074   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.804   2.232   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.659   5.228   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.618  -2.084   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.413   6.133   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.648  -0.939   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.168   5.228   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.878   0.394   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.643   3.764   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.372   0.074   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.444   7.211   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       9.403  -4.066   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       4.062  -1.259   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       5.413   7.673   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      10.180  -1.100   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.703   5.704   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       8.505   1.801   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.137   3.443   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.211   1.606   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.183   3.764   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.211  -1.457   0.000  0.00  0.00           O+0
HETATM   24  H   UNK     0       6.365   6.740   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       9.152  -1.950   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0       6.464   7.260   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0       9.659  -2.101   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0       3.927   6.749   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       9.416   0.475   0.000  0.00  0.00           H+0
CONECT    1    5   13                                                       
CONECT    2    6   14                                                       
CONECT    3   12   15                                                       
CONECT    4   11   21                                                       
CONECT    5    1    7   22   24                                             
CONECT    6    2    8   23   25                                             
CONECT    7    5    9   16   26                                             
CONECT    8    6   10   17   27                                             
CONECT    9    7   11   18   28                                             
CONECT   10    8   12   19   29                                             
CONECT   11    4    9   20   22                                             
CONECT   12    3   10   21   23                                             
CONECT   13    1                                                            
CONECT   14    2                                                            
CONECT   15    3                                                            
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18    9                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21    4   12                                                       
CONECT   22    5   11                                                       
CONECT   23    6   12                                                       
CONECT   24    5                                                            
CONECT   25    6                                                            
CONECT   26    7                                                            
CONECT   27    8                                                            
CONECT   28    9                                                            
CONECT   29   10                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   60    0
END

COMPND    HMDB0304763
HETATM    1  O1  UNL     1      -3.436   1.116   3.333  1.00  0.00           O  
HETATM    2  C1  UNL     1      -4.136   0.843   2.159  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.120   0.617   1.074  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.318  -0.438   1.407  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.680  -0.861   0.211  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.613  -2.383   0.377  1.00  0.00           C  
HETATM    7  O3  UNL     1      -1.031  -3.026  -0.682  1.00  0.00           O  
HETATM    8  O4  UNL     1      -0.460  -0.250   0.235  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.395  -0.463  -0.796  1.00  0.00           C  
HETATM   10  C6  UNL     1       1.659   0.331  -0.523  1.00  0.00           C  
HETATM   11  O5  UNL     1       1.285   1.685  -0.436  1.00  0.00           O  
HETATM   12  O6  UNL     1       2.286  -0.025   0.638  1.00  0.00           O  
HETATM   13  C7  UNL     1       3.640   0.029   0.469  1.00  0.00           C  
HETATM   14  C8  UNL     1       4.316   0.847   1.561  1.00  0.00           C  
HETATM   15  O7  UNL     1       4.033   0.247   2.770  1.00  0.00           O  
HETATM   16  C9  UNL     1       3.946   0.539  -0.899  1.00  0.00           C  
HETATM   17  O8  UNL     1       5.034  -0.100  -1.490  1.00  0.00           O  
HETATM   18  C10 UNL     1       2.651   0.218  -1.646  1.00  0.00           C  
HETATM   19  O9  UNL     1       2.413   1.098  -2.676  1.00  0.00           O  
HETATM   20  C11 UNL     1      -2.575  -0.465  -0.913  1.00  0.00           C  
HETATM   21  O10 UNL     1      -2.898  -1.507  -1.767  1.00  0.00           O  
HETATM   22  C12 UNL     1      -3.787   0.107  -0.209  1.00  0.00           C  
HETATM   23  O11 UNL     1      -4.396   1.122  -0.911  1.00  0.00           O  
HETATM   24  H1  UNL     1      -3.210   2.089   3.408  1.00  0.00           H  
HETATM   25  H2  UNL     1      -4.737  -0.070   2.356  1.00  0.00           H  
HETATM   26  H3  UNL     1      -4.759   1.725   1.925  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.601   1.557   0.858  1.00  0.00           H  
HETATM   28  H5  UNL     1      -2.635  -2.790   0.517  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.085  -2.597   1.349  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.629  -3.560  -1.235  1.00  0.00           H  
HETATM   31  H8  UNL     1      -0.052   0.002  -1.723  1.00  0.00           H  
HETATM   32  H9  UNL     1       0.652  -1.483  -1.060  1.00  0.00           H  
HETATM   33  H10 UNL     1       1.337   2.109  -1.346  1.00  0.00           H  
HETATM   34  H11 UNL     1       4.048  -1.010   0.544  1.00  0.00           H  
HETATM   35  H12 UNL     1       3.838   1.867   1.575  1.00  0.00           H  
HETATM   36  H13 UNL     1       5.390   0.980   1.363  1.00  0.00           H  
HETATM   37  H14 UNL     1       4.761   0.301   3.432  1.00  0.00           H  
HETATM   38  H15 UNL     1       4.062   1.638  -0.940  1.00  0.00           H  
HETATM   39  H16 UNL     1       5.723   0.599  -1.698  1.00  0.00           H  
HETATM   40  H17 UNL     1       2.768  -0.843  -2.000  1.00  0.00           H  
HETATM   41  H18 UNL     1       2.868   0.745  -3.492  1.00  0.00           H  
HETATM   42  H19 UNL     1      -2.112   0.396  -1.469  1.00  0.00           H  
HETATM   43  H20 UNL     1      -2.979  -1.113  -2.689  1.00  0.00           H  
HETATM   44  H21 UNL     1      -4.496  -0.698   0.101  1.00  0.00           H  
HETATM   45  H22 UNL     1      -5.359   0.872  -1.065  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6    8   20
CONECT    6    7   28   29
CONECT    7   30
CONECT    8    9
CONECT    9   10   31   32
CONECT   10   11   12   18
CONECT   11   33
CONECT   12   13
CONECT   13   14   16   34
CONECT   14   15   35   36
CONECT   15   37
CONECT   16   17   18   38
CONECT   17   39
CONECT   18   19   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0304763
     RDKit          3D
beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -3.4357    1.1163    3.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1358    0.8434    2.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1204    0.6172    1.0739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3184   -0.4380    1.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6798   -0.8609    0.2111 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6132   -2.3832    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -3.0264   -0.6818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -0.2500    0.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954   -0.4625   -0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    0.3311   -0.5226 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2847    1.6850   -0.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860   -0.0248    0.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    0.0289    0.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3159    0.8472    1.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0330    0.2466    2.7704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.5386   -0.8990 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0339   -0.1000   -1.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    0.2182   -1.6456 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4130    1.0981   -2.6756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5747   -0.4652   -0.9133 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8978   -1.5073   -1.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.1073   -0.2092 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3958    1.1219   -0.9112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097    2.0895    3.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366   -0.0697    2.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7588    1.7250    1.9248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012    1.5571    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355   -2.7897    0.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849   -2.5971    1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -3.5597   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0515    0.0023   -1.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6517   -1.4827   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3365    2.1088   -1.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481   -1.0097    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385    1.8673    1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.9805    1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7608    0.3008    3.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    1.6379   -0.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229    0.5995   -1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -0.8432   -1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683    0.7445   -3.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    0.3957   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -1.1128   -2.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4965   -0.6976    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3594    0.8717   -1.0649 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
  5  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  5 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 18 10  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  6 28  1  0
  6 29  1  0
  7 30  1  0
  9 31  1  0
  9 32  1  0
 11 33  1  0
 13 34  1  6
 14 35  1  0
 14 36  1  0
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
b-D-Fructofuranosyl-(2,1)-b-D-fructofuranose	Generator
Β-D-fructofuranosyl-(2,1)-β-D-fructofuranose	Generator

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

(2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol

Traditional Name

(2R,3S,4S,5R)-2-({[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-5-(hydroxymethyl)oxolane-2,3,4-triol

CAS Registry Number

Not Available

SMILES

[H][C@@]1(O)[C@@]([H])(CO)O[C@](O)(CO[C@@]2(CO)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@@]1([H])O

InChI Identifier

InChI=1S/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12+/m1/s1

InChI Key

WOHYVFWWTVNXTP-IYDDCBTQSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

Disaccharide
C-glycosyl compound
Ketal
Oxolane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0304763)

Food

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

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
logP	-2.8	ALOGPS
logP	-4.4	ChemAxon
logS	0.19	ALOGPS
pKa (Strongest Acidic)	10.26	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	69.21 m³·mol⁻¹	ChemAxon
Polarizability	31.35 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	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
AllCCS	[M+H]+	175.495	32859911
AllCCS	[M+H-H2O]+	172.705	32859911
AllCCS	[M+Na]+	178.807	32859911
AllCCS	[M+NH4]+	178.069	32859911
AllCCS	[M-H]-	175.402	32859911
AllCCS	[M+Na-2H]-	174.968	32859911
AllCCS	[M+HCOO]-	174.624	32859911
DeepCCS	[M+H]+	165.549	30932474
DeepCCS	[M-H]-	163.348	30932474
DeepCCS	[M-2H]-	197.187	30932474
DeepCCS	[M+Na]+	171.902	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose GC-MS (1 MEOX; 8 TMS)	splash10-0gb9-1960000000-8d0458f2338308846ae2	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose GC-MS (1 MEOX; 8 TMS)	splash10-0gb9-1961000000-0cfd2f317d147c29d052	2014-06-16	HMDB team, MONA, MassBank	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 10V, Positive-QTOF	splash10-01qc-2904000000-10b28fb6d22218ff39f8	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 20V, Positive-QTOF	splash10-03di-1903000000-b70adf3ffd287ec37c56	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 40V, Positive-QTOF	splash10-0006-9300000000-a492a2428fca2ea6c72f	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 10V, Negative-QTOF	splash10-03fu-4904000000-4a9eb9173734034d8d67	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 20V, Negative-QTOF	splash10-03fs-0900000000-78bf5aec0d5de766ca5c	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 40V, Negative-QTOF	splash10-0005-8900000000-4ed913acd03e8ef20136	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 10V, Positive-QTOF	splash10-056u-0009000000-76c8529f540f4de9b8da	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 20V, Positive-QTOF	splash10-000j-9613000000-56efa4c9b20e1f3a06a6	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 40V, Positive-QTOF	splash10-052v-9110000000-2f08422241ed33e6d0a1	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 10V, Negative-QTOF	splash10-01ox-0956000000-4fe547a3d4f722bd49e3	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 20V, Negative-QTOF	splash10-0a4i-9643000000-84cb2d680aab4c9bcbbf	2021-10-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose 40V, Negative-QTOF	splash10-0ab9-9620000000-1c49981f1a021c6fac51	2021-10-22	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

FDB098121

KNApSAcK ID

Not Available

Chemspider ID

24534198

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

45109757

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 beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose (HMDB0304763)

MOL for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

3D MOL for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

3D SDF for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

3D-SDF for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

PDB for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

3D PDB for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

SMILES for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

INCHI for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

Structure for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

3D Structure for HMDB0304763 (beta-D-Fructofuranosyl-(2,1)-beta-D-Fructofuranose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

GC-MS Spectra

MS/MS Spectra