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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:29:24 UTC

Update Date

2022-03-07 02:52:06 UTC

HMDB ID

HMDB0029281

Secondary Accession Numbers

HMDB29281

Metabolite Identification

Common Name

b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside

Description

b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid. Based on a literature review a significant number of articles have been published on b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside.

Structure

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

  Mrv0541 02271201072D          

 33 35  0  0  0  0            999 V2000
    1.4180    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    2.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -0.3167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7235    0.0958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4380   -0.3167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4380   -1.1417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7235   -1.5542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7235   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1524   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1524    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7235    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -2.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944   -3.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3395   -3.9786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5145   -3.9786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2596   -3.1941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4749   -2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -2.1322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0296   -4.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244   -4.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790   -2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9921   -3.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 22 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  1  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  0  0  0  0
 16 19  1  6  0  0  0
 17 18  1  6  0  0  0
 24 18  1  1  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  6  0  0  0
 25 26  1  0  0  0  0
 25 31  1  1  0  0  0
 26 27  1  0  0  0  0
 26 30  1  6  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
M  END

HMDB0029281
     RDKit          3D
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside
 61 63  0  0  0  0  0  0  0  0999 V2000
    2.0029    2.4464    0.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    1.4057    0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484    1.4799    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    0.3572    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    0.3363    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085    1.4633    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3978    1.3987    0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0183    0.1808    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2718   -0.9728    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -0.9007    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0148    0.1851    0.9983 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    0.1987    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438   -1.2161    1.1467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3293   -1.1764    1.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255   -1.2311    0.0056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2609   -0.9764   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.0394   -0.8956 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4943   -0.3094   -2.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    0.7510   -3.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1214    0.0101   -0.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5011    1.3118   -0.8209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7156    1.5144    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3648    1.2134    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905    2.1963   -0.3682 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3036    3.3473   -1.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914    1.3045   -0.5301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4533    1.2992    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -2.6873   -0.4699 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3812   -3.5439    0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252   -2.9629   -0.6265 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0303   -3.0741   -2.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841   -1.9516   -0.0351 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7534   -2.6282    0.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837    2.4470    0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352   -0.5949    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375    2.4409    0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9754    2.3073    0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1043    0.1028    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377   -1.9530    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846   -1.7920    0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    0.7851    1.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768    0.6933    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604   -1.6481    2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196   -0.6294   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4361   -0.4052   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253   -1.2266   -2.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    1.4982   -3.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8471    1.5461   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0995    2.5550   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5399    0.8295   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5428    0.2497    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5091    2.4531    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5970    4.1135   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491    1.7502   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224    1.8083    1.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430   -2.7283   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620   -3.4994    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -3.9845   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -2.4204   -2.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -1.2532   -0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -2.1750    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 17 16  1  1
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10  5  1  0
 32 13  1  0
 26 17  1  0
  3 34  1  0
  4 35  1  0
  6 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  1
 15 44  1  6
 18 45  1  0
 18 46  1  0
 19 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  1
 25 53  1  0
 26 54  1  6
 27 55  1  0
 28 56  1  6
 29 57  1  0
 30 58  1  1
 31 59  1  0
 32 60  1  6
 33 61  1  0
M  END

  Mrv0541 02271201072D          

 33 35  0  0  0  0            999 V2000
    1.4180    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5930    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445    0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0570    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8820    1.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    2.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090   -0.3167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7235    0.0958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4380   -0.3167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4380   -1.1417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7235   -1.5542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7235   -2.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1524   -1.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1524    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7235    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -2.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5944   -3.1941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3395   -3.9786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5145   -3.9786    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2596   -3.1941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4749   -2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3034   -2.1322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0296   -4.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8244   -4.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790   -2.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9921   -3.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 22 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  1  0  0  0
 14 15  1  0  0  0  0
 14 21  1  6  0  0  0
 15 16  1  0  0  0  0
 15 20  1  1  0  0  0
 16 17  1  0  0  0  0
 16 19  1  6  0  0  0
 17 18  1  6  0  0  0
 24 18  1  1  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  6  0  0  0
 25 26  1  0  0  0  0
 25 31  1  1  0  0  0
 26 27  1  0  0  0  0
 26 30  1  6  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029281

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13+,15+,16-,17-,18+,19+,20+,21+/m0/s1

> <INCHI_KEY>
ASHAUBLELZYXKD-GASGSQLSSA-N

> <FORMULA>
C21H28O12

> <MOLECULAR_WEIGHT>
472.4398

> <EXACT_MASS>
472.15807636

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
45.47237770839957

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoate

> <ALOGPS_LOGP>
-1.24

> <JCHEM_LOGP>
-1.4949442456666664

> <ALOGPS_LOGS>
-1.74

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.395584027616426

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.84196414751296

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981433338188096

> <JCHEM_POLAR_SURFACE_AREA>
195.6

> <JCHEM_REFRACTIVITY>
108.34179999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.66e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029281
     RDKit          3D
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside
 61 63  0  0  0  0  0  0  0  0999 V2000
    2.0029    2.4464    0.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    1.4057    0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484    1.4799    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    0.3572    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    0.3363    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085    1.4633    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3978    1.3987    0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0183    0.1808    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2718   -0.9728    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -0.9007    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0148    0.1851    0.9983 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    0.1987    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438   -1.2161    1.1467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3293   -1.1764    1.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255   -1.2311    0.0056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2609   -0.9764   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.0394   -0.8956 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4943   -0.3094   -2.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    0.7510   -3.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1214    0.0101   -0.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5011    1.3118   -0.8209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7156    1.5144    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3648    1.2134    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905    2.1963   -0.3682 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3036    3.3473   -1.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914    1.3045   -0.5301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4533    1.2992    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -2.6873   -0.4699 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3812   -3.5439    0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252   -2.9629   -0.6265 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0303   -3.0741   -2.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841   -1.9516   -0.0351 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7534   -2.6282    0.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837    2.4470    0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352   -0.5949    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375    2.4409    0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9754    2.3073    0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1043    0.1028    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377   -1.9530    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846   -1.7920    0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    0.7851    1.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768    0.6933    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604   -1.6481    2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196   -0.6294   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4361   -0.4052   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253   -1.2266   -2.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    1.4982   -3.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8471    1.5461   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0995    2.5550   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5399    0.8295   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5428    0.2497    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5091    2.4531    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5970    4.1135   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491    1.7502   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224    1.8083    1.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430   -2.7283   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620   -3.4994    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -3.9845   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -2.4204   -2.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -1.2532   -0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -2.1750    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 17 16  1  1
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10  5  1  0
 32 13  1  0
 26 17  1  0
  3 34  1  0
  4 35  1  0
  6 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  1
 15 44  1  6
 18 45  1  0
 18 46  1  0
 19 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  1
 25 53  1  0
 26 54  1  6
 27 55  1  0
 28 56  1  6
 29 57  1  0
 30 58  1  1
 31 59  1  0
 32 60  1  6
 33 61  1  0
M  END

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  C   UNK     0       2.647   3.052   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.107   3.052   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.337   1.719   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.107   0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.647   0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.417   1.719   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.203   1.719   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.973   3.052   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.513   3.052   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.283   4.386   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -4.283   1.719   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -5.617  -2.131   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.617  -0.591   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.951   0.179   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -8.284  -0.591   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -8.284  -2.131   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.951  -2.901   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -6.951  -4.441   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -9.618  -2.901   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -9.618   0.179   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -6.951   1.719   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.283   0.179   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.464  -5.057   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -6.710  -5.962   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.234  -7.427   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.694  -7.427   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.218  -5.962   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.753  -5.486   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -2.433  -3.980   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.789  -8.673   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -7.139  -8.673   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -8.174  -5.486   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -9.319  -6.517   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    3    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   22                                                       
CONECT   12   13   17                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   19                                                  
CONECT   17   12   16   18                                                  
CONECT   18   17   24                                                       
CONECT   19   16                                                            
CONECT   20   15                                                            
CONECT   21   14                                                            
CONECT   22   11   13                                                       
CONECT   23   24   27                                                       
CONECT   24   18   23   25   32                                             
CONECT   25   24   26   31                                                  
CONECT   26   25   27   30                                                  
CONECT   27   23   26   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   26                                                            
CONECT   31   25                                                            
CONECT   32   24   33                                                       
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

COMPND    HMDB0029281
HETATM    1  O1  UNL     1       2.003   2.446   0.953  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.688   1.406   0.932  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.148   1.480   0.842  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.808   0.357   0.824  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.249   0.336   0.736  1.00  0.00           C  
HETATM    6  C5  UNL     1       7.009   1.463   0.666  1.00  0.00           C  
HETATM    7  C6  UNL     1       8.398   1.399   0.583  1.00  0.00           C  
HETATM    8  C7  UNL     1       9.018   0.181   0.570  1.00  0.00           C  
HETATM    9  C8  UNL     1       8.272  -0.973   0.640  1.00  0.00           C  
HETATM   10  C9  UNL     1       6.895  -0.901   0.723  1.00  0.00           C  
HETATM   11  O2  UNL     1       2.015   0.185   0.998  1.00  0.00           O  
HETATM   12  C10 UNL     1       0.585   0.199   1.086  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.044  -1.216   1.147  1.00  0.00           C  
HETATM   14  O3  UNL     1      -1.329  -1.176   1.233  1.00  0.00           O  
HETATM   15  C12 UNL     1      -1.925  -1.231   0.006  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.261  -0.976  -0.031  1.00  0.00           O  
HETATM   17  C13 UNL     1      -3.718  -0.039  -0.896  1.00  0.00           C  
HETATM   18  C14 UNL     1      -3.494  -0.309  -2.345  1.00  0.00           C  
HETATM   19  O5  UNL     1      -4.025   0.751  -3.078  1.00  0.00           O  
HETATM   20  O6  UNL     1      -5.121   0.010  -0.718  1.00  0.00           O  
HETATM   21  C15 UNL     1      -5.501   1.312  -0.821  1.00  0.00           C  
HETATM   22  C16 UNL     1      -6.716   1.514   0.090  1.00  0.00           C  
HETATM   23  O7  UNL     1      -6.365   1.213   1.404  1.00  0.00           O  
HETATM   24  C17 UNL     1      -4.391   2.196  -0.368  1.00  0.00           C  
HETATM   25  O8  UNL     1      -4.304   3.347  -1.149  1.00  0.00           O  
HETATM   26  C18 UNL     1      -3.191   1.305  -0.530  1.00  0.00           C  
HETATM   27  O9  UNL     1      -2.453   1.299   0.652  1.00  0.00           O  
HETATM   28  C19 UNL     1      -1.773  -2.687  -0.470  1.00  0.00           C  
HETATM   29  O10 UNL     1      -2.381  -3.544   0.440  1.00  0.00           O  
HETATM   30  C20 UNL     1      -0.325  -2.963  -0.627  1.00  0.00           C  
HETATM   31  O11 UNL     1      -0.030  -3.074  -2.005  1.00  0.00           O  
HETATM   32  C21 UNL     1       0.584  -1.952  -0.035  1.00  0.00           C  
HETATM   33  O12 UNL     1       1.753  -2.628   0.384  1.00  0.00           O  
HETATM   34  H1  UNL     1       4.584   2.447   0.795  1.00  0.00           H  
HETATM   35  H2  UNL     1       4.235  -0.595   0.879  1.00  0.00           H  
HETATM   36  H3  UNL     1       6.538   2.441   0.675  1.00  0.00           H  
HETATM   37  H4  UNL     1       8.975   2.307   0.528  1.00  0.00           H  
HETATM   38  H5  UNL     1      10.104   0.103   0.506  1.00  0.00           H  
HETATM   39  H6  UNL     1       8.738  -1.953   0.632  1.00  0.00           H  
HETATM   40  H7  UNL     1       6.285  -1.792   0.779  1.00  0.00           H  
HETATM   41  H8  UNL     1       0.277   0.785   1.952  1.00  0.00           H  
HETATM   42  H9  UNL     1       0.177   0.693   0.156  1.00  0.00           H  
HETATM   43  H10 UNL     1       0.460  -1.648   2.104  1.00  0.00           H  
HETATM   44  H11 UNL     1      -1.320  -0.629  -0.699  1.00  0.00           H  
HETATM   45  H12 UNL     1      -2.436  -0.405  -2.636  1.00  0.00           H  
HETATM   46  H13 UNL     1      -4.025  -1.227  -2.662  1.00  0.00           H  
HETATM   47  H14 UNL     1      -3.384   1.498  -3.177  1.00  0.00           H  
HETATM   48  H15 UNL     1      -5.847   1.546  -1.853  1.00  0.00           H  
HETATM   49  H16 UNL     1      -7.099   2.555  -0.003  1.00  0.00           H  
HETATM   50  H17 UNL     1      -7.540   0.830  -0.191  1.00  0.00           H  
HETATM   51  H18 UNL     1      -6.543   0.250   1.566  1.00  0.00           H  
HETATM   52  H19 UNL     1      -4.509   2.453   0.704  1.00  0.00           H  
HETATM   53  H20 UNL     1      -4.597   4.114  -0.580  1.00  0.00           H  
HETATM   54  H21 UNL     1      -2.549   1.750  -1.321  1.00  0.00           H  
HETATM   55  H22 UNL     1      -2.922   1.808   1.352  1.00  0.00           H  
HETATM   56  H23 UNL     1      -2.343  -2.728  -1.428  1.00  0.00           H  
HETATM   57  H24 UNL     1      -1.862  -3.499   1.280  1.00  0.00           H  
HETATM   58  H25 UNL     1      -0.091  -3.984  -0.212  1.00  0.00           H  
HETATM   59  H26 UNL     1      -0.592  -2.420  -2.512  1.00  0.00           H  
HETATM   60  H27 UNL     1       0.936  -1.253  -0.838  1.00  0.00           H  
HETATM   61  H28 UNL     1       2.187  -2.175   1.142  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4    4   34
CONECT    4    5   35
CONECT    5    6    6   10
CONECT    6    7   36
CONECT    7    8    8   37
CONECT    8    9   38
CONECT    9   10   10   39
CONECT   10   40
CONECT   11   12
CONECT   12   13   41   42
CONECT   13   14   32   43
CONECT   14   15
CONECT   15   16   28   44
CONECT   16   17
CONECT   17   18   20   26
CONECT   18   19   45   46
CONECT   19   47
CONECT   20   21
CONECT   21   22   24   48
CONECT   22   23   49   50
CONECT   23   51
CONECT   24   25   26   52
CONECT   25   53
CONECT   26   27   54
CONECT   27   55
CONECT   28   29   30   56
CONECT   29   57
CONECT   30   31   32   58
CONECT   31   59
CONECT   32   33   60
CONECT   33   61
END

HMDB0029281
     RDKit          3D
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside
 61 63  0  0  0  0  0  0  0  0999 V2000
    2.0029    2.4464    0.9532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6883    1.4057    0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484    1.4799    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077    0.3572    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    0.3363    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085    1.4633    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3978    1.3987    0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0183    0.1808    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2718   -0.9728    0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8955   -0.9007    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0148    0.1851    0.9983 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850    0.1987    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0438   -1.2161    1.1467 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3293   -1.1764    1.2327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9255   -1.2311    0.0056 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2609   -0.9764   -0.0308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.0394   -0.8956 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4943   -0.3094   -2.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0246    0.7510   -3.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1214    0.0101   -0.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5011    1.3118   -0.8209 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7156    1.5144    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3648    1.2134    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3905    2.1963   -0.3682 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3036    3.3473   -1.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914    1.3045   -0.5301 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4533    1.2992    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7727   -2.6873   -0.4699 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3812   -3.5439    0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252   -2.9629   -0.6265 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0303   -3.0741   -2.0053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841   -1.9516   -0.0351 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7534   -2.6282    0.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5837    2.4470    0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2352   -0.5949    0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375    2.4409    0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9754    2.3073    0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1043    0.1028    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7377   -1.9530    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846   -1.7920    0.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2771    0.7851    1.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1768    0.6933    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4604   -1.6481    2.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196   -0.6294   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4361   -0.4052   -2.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0253   -1.2266   -2.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3842    1.4982   -3.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8471    1.5461   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0995    2.5550   -0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5399    0.8295   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5428    0.2497    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5091    2.4531    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5970    4.1135   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491    1.7502   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224    1.8083    1.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3430   -2.7283   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620   -3.4994    1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -3.9845   -0.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -2.4204   -2.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -1.2532   -0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1871   -2.1750    1.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  2 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 17 16  1  1
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10  5  1  0
 32 13  1  0
 26 17  1  0
  3 34  1  0
  4 35  1  0
  6 36  1  0
  7 37  1  0
  8 38  1  0
  9 39  1  0
 10 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  1
 15 44  1  6
 18 45  1  0
 18 46  1  0
 19 47  1  0
 21 48  1  6
 22 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  1
 25 53  1  0
 26 54  1  6
 27 55  1  0
 28 56  1  6
 29 57  1  0
 30 58  1  1
 31 59  1  0
 32 60  1  6
 33 61  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
b-D-Fructofuranosyl-a-D-(6-O-(e))-feruloylglucopyranoside	HMDB
[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoic acid	HMDB

Chemical Formula

C₂₁H₂₈O₁₂

Average Molecular Weight

472.4398

Monoisotopic Molecular Weight

472.15807636

IUPAC Name

[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoate

Traditional Name

[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-phenylprop-2-enoate

CAS Registry Number

Not Available

SMILES

OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C21H28O12/c22-8-12-16(26)19(29)21(10-23,32-12)33-20-18(28)17(27)15(25)13(31-20)9-30-14(24)7-6-11-4-2-1-3-5-11/h1-7,12-13,15-20,22-23,25-29H,8-10H2/b7-6+/t12-,13+,15+,16-,17-,18+,19+,20+,21+/m0/s1

InChI Key

ASHAUBLELZYXKD-GASGSQLSSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Cinnamic acid esters

Direct Parent

Cinnamic acid esters

Alternative Parents

Substituents

Cinnamic acid ester
C-glycosyl compound
Disaccharide
Glycosyl compound
O-glycosyl compound
Styrene
Ketal
Fatty acid ester
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Acetal
Carboxylic acid derivative
Polyol
Organooxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029281)
Cytoplasm (HMDB: HMDB0029281)

Source

Endogenous

Endogenous (HMDB: HMDB0029281)

Plant

Plant (HMDB: HMDB0029281)

Exogenous

Food

Food (HMDB: HMDB0029281)

Exogenous (HMDB: HMDB0029281)

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	8.66 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-1.5	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	11.84	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	195.6 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	108.34 m³·mol⁻¹	ChemAxon
Polarizability	45.47 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	203.893	31661259
DarkChem	[M-H]-	195.06	31661259
DeepCCS	[M+H]+	198.751	30932474
DeepCCS	[M-H]-	196.398	30932474
DeepCCS	[M-2H]-	229.662	30932474
DeepCCS	[M+Na]+	204.522	30932474
AllCCS	[M+H]+	207.7	32859911
AllCCS	[M+H-H2O]+	205.8	32859911
AllCCS	[M+NH4]+	209.5	32859911
AllCCS	[M+Na]+	210.0	32859911
AllCCS	[M-H]-	201.5	32859911
AllCCS	[M+Na-2H]-	202.4	32859911
AllCCS	[M+HCOO]-	203.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside	OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	4306.9	Standard polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside	OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3950.7	Standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside	OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)\C=C\C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	4020.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3746.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #2	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	3760.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3731.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H]1O	3728.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@H](O)[C@H]1O	3723.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@]1(CO)O[C@H]1O[C@H](COC(=O)/C=C/C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O	3763.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	3736.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3702.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #10	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3697.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #11	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3719.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3679.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3700.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	3661.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3677.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	3679.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	3697.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	3669.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3675.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3685.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3691.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	3679.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3683.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3681.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3704.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3678.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #7	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	3701.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #8	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	3696.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TMS,isomer #9	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	3688.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3644.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3632.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3656.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3626.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3646.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3620.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3634.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #16	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	3645.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #17	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	3625.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #18	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3639.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #19	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3656.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3639.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #20	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	3630.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #21	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3640.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #22	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3656.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #23	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3627.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #24	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3652.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #25	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3634.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3629.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #27	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	3617.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	3638.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	3629.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3635.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3653.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	3635.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #32	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O	3631.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	3628.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3643.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3623.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3643.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3619.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3642.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3622.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3654.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3626.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3597.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3601.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3601.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3610.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3581.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3580.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3553.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #16	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3584.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #17	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3592.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #18	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3562.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #19	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3583.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3567.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #20	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3571.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #21	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	3594.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #22	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3589.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #23	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3608.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #24	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3562.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #25	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3580.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #26	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3580.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #27	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3569.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #28	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3592.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #29	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3580.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3597.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #30	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3569.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	3565.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #32	C[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	3594.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	3593.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3614.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3579.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3571.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3580.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3595.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3572.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3586.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,4TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3558.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #1	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	3563.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #10	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3530.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #11	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3567.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #12	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3546.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #13	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3554.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #14	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3524.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #15	C[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3536.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #16	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O	3549.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #17	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C	3576.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #18	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3556.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #19	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3524.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #2	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O	3573.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #20	C[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3538.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3561.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #3	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	3543.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #4	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3542.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #5	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3517.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #6	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3541.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #7	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3556.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #8	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3527.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,5TMS,isomer #9	C[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3543.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3970.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	3964.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3949.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H]1O	3957.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@H](O)[C@H]1O	3950.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@]1(CO)O[C@H]1O[C@H](COC(=O)/C=C/C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O	3974.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	3960.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	4129.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4119.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4122.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	4115.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4114.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	4086.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4098.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O	4128.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	4126.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4099.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4121.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	4122.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4118.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4111.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	4131.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4123.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4129.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4124.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	4109.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	4120.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	4110.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	4288.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4280.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4300.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4286.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4293.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4276.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4280.5	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O	4266.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	4248.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4271.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4277.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	4295.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O	4267.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4285.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4290.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4273.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4280.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@]1(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4272.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4266.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	4251.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O	4267.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1COC(=O)/C=C/C1=CC=CC=C1	4257.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4292.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4274.8	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4253.6	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	4278.1	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4267.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](COC(=O)/C=C/C2=CC=CC=C2)O[C@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4276.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4267.0	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4289.4	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO[Si](C)(C)C(C)(C)C)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4281.3	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	4279.2	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4262.9	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4290.7	Semi standard non polar	33892256
b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@](CO)(O[C@H]2O[C@H](COC(=O)/C=C/C3=CC=CC=C3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4273.3	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 - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0pi3-9412600000-a03989a8d8a8ca6e497f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside GC-MS (3 TMS) - 70eV, Positive	splash10-0fl0-9520015000-6df7342b2a29c92e8e59	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 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 - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 10V, Positive-QTOF	splash10-01q9-0900000000-84810d2851ec0372f270	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 20V, Positive-QTOF	splash10-03e9-0911000000-9e129a93c65d7d088b95	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 40V, Positive-QTOF	splash10-03du-9600000000-afcece05fe7b5bd867b4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 10V, Negative-QTOF	splash10-03fr-2900000000-ea41cf1aed4c4d31337c	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 20V, Negative-QTOF	splash10-01ta-0900000000-a4b6f8f763b70a1c7848	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 40V, Negative-QTOF	splash10-0002-5900000000-0d63ed626b69eb87bc12	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 10V, Negative-QTOF	splash10-0ir0-0911600000-2236e00262f175e259e6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 20V, Negative-QTOF	splash10-03di-3914400000-9decfe89ea2bfe591690	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 40V, Negative-QTOF	splash10-004i-9500000000-2bf4cb915a3727e90c6b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 10V, Positive-QTOF	splash10-01wb-0900400000-4b36c715b6a1789bef09	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 20V, Positive-QTOF	splash10-01sj-2900000000-73cd13efc051331463d7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside 40V, Positive-QTOF	splash10-0udi-4900000000-8ec1972f3803663a3a19	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

529

FooDB ID

FDB000280

KNApSAcK ID

Not Available

Chemspider ID

30776758

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750841

PDB ID

Not Available

ChEBI ID

172700

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

Kujala TS, Loponen JM, Klika KD, Pihlaja K: Phenolics and betacyanins in red beetroot (Beta vulgaris) root: distribution and effect of cold storage on the content of total phenolics and three individual compounds. J Agric Food Chem. 2000 Nov;48(11):5338-42. [PubMed:11087483 ]
Neveu V, Perez-Jimenez J, Vos F, Crespy V, du Chaffaut L, Mennen L, Knox C, Eisner R, Cruz J, Wishart D, Scalbert A: Phenol-Explorer: an online comprehensive database on polyphenol contents in foods. Database (Oxford). 2010;2010:bap024. doi: 10.1093/database/bap024. Epub 2010 Jan 8. [PubMed:20428313 ]

Showing metabocard for b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside (HMDB0029281)

MOL for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

3D MOL for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

3D SDF for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

3D-SDF for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

PDB for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

3D PDB for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

SMILES for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

INCHI for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

Structure for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

3D Structure for HMDB0029281 (b-D-fructosyl-a-D-(6-O-(E))-feruloylglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra