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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:27:55 UTC

Update Date

2022-03-07 02:56:24 UTC

HMDB ID

HMDB0039922

Secondary Accession Numbers

HMDB39922

Metabolite Identification

Common Name

Eriodictyol 7-(6-trans-p-coumaroylglucoside)

Description

Eriodictyol 7-(6-trans-p-coumaroylglucoside) belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Eriodictyol 7-(6-trans-p-coumaroylglucoside) has been detected, but not quantified in, fruits. This could make eriodictyol 7-(6-trans-p-coumaroylglucoside) a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Eriodictyol 7-(6-trans-p-coumaroylglucoside).

Structure

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

  Mrv0541 05061311302D          

 43 47  0  0  0  0            999 V2000
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  2  0  0  0  0
 14  1  2  0  0  0  0
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 41 30  1  0  0  0  0
 42 22  1  0  0  0  0
 42 23  1  0  0  0  0
 43 24  1  0  0  0  0
 43 30  1  0  0  0  0
M  END

HMDB0039922
     RDKit          3D
Eriodictyol 7-(6-trans-p-coumaroylglucoside)
 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv0541 05061311302D          

 43 47  0  0  0  0            999 V2000
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   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  2  0  0  0  0
 14  1  2  0  0  0  0
 14  2  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 19 18  2  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 11  2  0  0  0  0
 24 13  1  0  0  0  0
 25  8  1  0  0  0  0
 26 20  2  0  0  0  0
 26 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 16  1  0  0  0  0
 32 18  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  2  0  0  0  0
 36 25  2  0  0  0  0
 37 27  1  0  0  0  0
 38 28  1  0  0  0  0
 39 29  1  0  0  0  0
 40 13  1  0  0  0  0
 40 25  1  0  0  0  0
 41 17  1  0  0  0  0
 41 30  1  0  0  0  0
 42 22  1  0  0  0  0
 42 23  1  0  0  0  0
 43 24  1  0  0  0  0
 43 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039922

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+

> <INCHI_KEY>
OGVBUVNWHBXNFL-FPYGCLRLSA-N

> <FORMULA>
C30H28O13

> <MOLECULAR_WEIGHT>
596.5355

> <EXACT_MASS>
596.152990982

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
57.99111716703722

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
2.46

> <JCHEM_LOGP>
2.993800031666667

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.46996443399276

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.9362653345091

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6491102896195207

> <JCHEM_POLAR_SURFACE_AREA>
212.66999999999993

> <JCHEM_REFRACTIVITY>
146.9637

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.38e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039922
     RDKit          3D
Eriodictyol 7-(6-trans-p-coumaroylglucoside)
 71 75  0  0  0  0  0  0  0  0999 V2000
   -5.0080    0.5725   -2.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -0.0330   -1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7879   -0.0294   -1.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1636   -0.6790   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5183   -0.7304    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5604   -0.0858   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8573   -0.1463    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1087   -0.8572    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3862   -0.9485    1.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0787   -1.5110    1.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7821   -1.4448    1.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4723   -0.7357   -1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1115   -0.8535   -1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4078    0.4861   -1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698    0.2638   -1.6069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    0.7899   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872    0.5628   -0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351   -0.0925   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.6937    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319   -1.3611    1.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573   -1.9475    2.9254 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0761   -1.3936    1.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410   -0.7953   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164   -0.1515   -0.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -0.8435   -0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7374   -1.4084    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9392   -0.5778   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8597   -0.2375    0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9748    0.5356    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2144    0.9983   -0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3395    1.7737   -1.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3035    0.6626   -1.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5357    1.1225   -3.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.1047   -1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5584   -1.5155    1.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2093   -2.0693    1.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -3.0583    2.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957    2.2641   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    2.9786    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8796    2.3505    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    3.5081   -0.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602    1.1040    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129    1.4349    0.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5390    0.5210   -1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3420   -1.2114    0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4234    0.4892   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6544    0.3664   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7149   -0.2848    2.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2497   -2.0785    2.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0022   -1.9743    1.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8952   -1.4475   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6613   -1.4437   -0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502    1.1118   -2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    0.3611    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.6684    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -2.4274    3.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    0.3119   -1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8552   -2.4442   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7086   -0.5819    1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6954    0.7993    1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9748    1.9905   -0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110    1.6784   -3.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4678   -0.3740   -2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061   -0.5351    2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141   -2.2201    1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026    2.6948   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.4219    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115    2.4023    1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020    3.3147   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986    0.3046    0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2577    1.8203    0.9605 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
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 26 35  1  0
 35 36  1  0
 36 37  2  0
 16 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 11  5  1  0
 42 14  1  0
 24 18  1  0
 34 27  1  0
 36 22  1  0
  3 44  1  0
  4 45  1  0
  6 46  1  0
  7 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 16 54  1  0
 19 55  1  0
 21 56  1  0
 24 57  1  0
 26 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 33 62  1  0
 34 63  1  0
 35 64  1  0
 35 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -9.336  11.550   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1    5   14                                                       
CONECT    2    6   14                                                       
CONECT    3    8   14                                                       
CONECT    4    7   15                                                       
CONECT    5    1   16                                                       
CONECT    6    2   16                                                       
CONECT    7    4   18                                                       
CONECT    8    3   25                                                       
CONECT    9   15   19                                                       
CONECT   10   17   20                                                       
CONECT   11   17   23                                                       
CONECT   12   21   22                                                       
CONECT   13   24   40                                                       
CONECT   14    1    2    3                                                  
CONECT   15    4    9   22                                                  
CONECT   16    5    6   31                                                  
CONECT   17   10   11   41                                                  
CONECT   18    7   19   32                                                  
CONECT   19    9   18   33                                                  
CONECT   20   10   26   34                                                  
CONECT   21   12   26   35                                                  
CONECT   22   12   15   42                                                  
CONECT   23   11   26   42                                                  
CONECT   24   13   27   43                                                  
CONECT   25    8   36   40                                                  
CONECT   26   20   21   23                                                  
CONECT   27   24   28   37                                                  
CONECT   28   27   29   38                                                  
CONECT   29   28   30   39                                                  
CONECT   30   29   41   43                                                  
CONECT   31   16                                                            
CONECT   32   18                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   25                                                            
CONECT   37   27                                                            
CONECT   38   28                                                            
CONECT   39   29                                                            
CONECT   40   13   25                                                       
CONECT   41   17   30                                                       
CONECT   42   22   23                                                       
CONECT   43   24   30                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0039922
HETATM    1  O1  UNL     1      -5.008   0.572  -2.818  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.383  -0.033  -1.806  1.00  0.00           C  
HETATM    3  C2  UNL     1      -6.788  -0.029  -1.353  1.00  0.00           C  
HETATM    4  C3  UNL     1      -7.164  -0.679  -0.274  1.00  0.00           C  
HETATM    5  C4  UNL     1      -8.518  -0.730   0.244  1.00  0.00           C  
HETATM    6  C5  UNL     1      -9.560  -0.086  -0.371  1.00  0.00           C  
HETATM    7  C6  UNL     1     -10.857  -0.146   0.144  1.00  0.00           C  
HETATM    8  C7  UNL     1     -11.109  -0.857   1.280  1.00  0.00           C  
HETATM    9  O2  UNL     1     -12.386  -0.949   1.835  1.00  0.00           O  
HETATM   10  C8  UNL     1     -10.079  -1.511   1.913  1.00  0.00           C  
HETATM   11  C9  UNL     1      -8.782  -1.445   1.390  1.00  0.00           C  
HETATM   12  O3  UNL     1      -4.472  -0.736  -1.070  1.00  0.00           O  
HETATM   13  C10 UNL     1      -3.111  -0.854  -1.338  1.00  0.00           C  
HETATM   14  C11 UNL     1      -2.408   0.486  -1.332  1.00  0.00           C  
HETATM   15  O4  UNL     1      -1.070   0.264  -1.607  1.00  0.00           O  
HETATM   16  C12 UNL     1      -0.251   0.790  -0.606  1.00  0.00           C  
HETATM   17  O5  UNL     1       1.087   0.563  -0.892  1.00  0.00           O  
HETATM   18  C13 UNL     1       2.035  -0.092  -0.180  1.00  0.00           C  
HETATM   19  C14 UNL     1       1.803  -0.694   1.027  1.00  0.00           C  
HETATM   20  C15 UNL     1       2.832  -1.361   1.721  1.00  0.00           C  
HETATM   21  O6  UNL     1       2.557  -1.948   2.925  1.00  0.00           O  
HETATM   22  C16 UNL     1       4.076  -1.394   1.155  1.00  0.00           C  
HETATM   23  C17 UNL     1       4.341  -0.795  -0.062  1.00  0.00           C  
HETATM   24  C18 UNL     1       3.316  -0.151  -0.715  1.00  0.00           C  
HETATM   25  O7  UNL     1       5.615  -0.844  -0.611  1.00  0.00           O  
HETATM   26  C19 UNL     1       6.737  -1.408   0.029  1.00  0.00           C  
HETATM   27  C20 UNL     1       7.939  -0.578  -0.280  1.00  0.00           C  
HETATM   28  C21 UNL     1       8.860  -0.238   0.703  1.00  0.00           C  
HETATM   29  C22 UNL     1       9.975   0.536   0.416  1.00  0.00           C  
HETATM   30  C23 UNL     1      10.214   0.998  -0.863  1.00  0.00           C  
HETATM   31  O8  UNL     1      11.340   1.774  -1.134  1.00  0.00           O  
HETATM   32  C24 UNL     1       9.303   0.663  -1.840  1.00  0.00           C  
HETATM   33  O9  UNL     1       9.536   1.123  -3.127  1.00  0.00           O  
HETATM   34  C25 UNL     1       8.196  -0.105  -1.556  1.00  0.00           C  
HETATM   35  C26 UNL     1       6.558  -1.515   1.530  1.00  0.00           C  
HETATM   36  C27 UNL     1       5.209  -2.069   1.791  1.00  0.00           C  
HETATM   37  O10 UNL     1       4.987  -3.058   2.507  1.00  0.00           O  
HETATM   38  C28 UNL     1      -0.596   2.264  -0.516  1.00  0.00           C  
HETATM   39  O11 UNL     1       0.374   2.979   0.193  1.00  0.00           O  
HETATM   40  C29 UNL     1      -1.880   2.351   0.284  1.00  0.00           C  
HETATM   41  O12 UNL     1      -2.566   3.508  -0.076  1.00  0.00           O  
HETATM   42  C30 UNL     1      -2.660   1.104   0.019  1.00  0.00           C  
HETATM   43  O13 UNL     1      -4.013   1.435   0.086  1.00  0.00           O  
HETATM   44  H1  UNL     1      -7.539   0.521  -1.920  1.00  0.00           H  
HETATM   45  H2  UNL     1      -6.342  -1.211   0.243  1.00  0.00           H  
HETATM   46  H3  UNL     1      -9.423   0.489  -1.269  1.00  0.00           H  
HETATM   47  H4  UNL     1     -11.654   0.366  -0.356  1.00  0.00           H  
HETATM   48  H5  UNL     1     -12.715  -0.285   2.515  1.00  0.00           H  
HETATM   49  H6  UNL     1     -10.250  -2.078   2.811  1.00  0.00           H  
HETATM   50  H7  UNL     1      -8.002  -1.974   1.920  1.00  0.00           H  
HETATM   51  H8  UNL     1      -2.895  -1.448  -2.246  1.00  0.00           H  
HETATM   52  H9  UNL     1      -2.661  -1.444  -0.491  1.00  0.00           H  
HETATM   53  H10 UNL     1      -2.850   1.112  -2.125  1.00  0.00           H  
HETATM   54  H11 UNL     1      -0.502   0.361   0.383  1.00  0.00           H  
HETATM   55  H12 UNL     1       0.823  -0.668   1.472  1.00  0.00           H  
HETATM   56  H13 UNL     1       3.160  -2.427   3.523  1.00  0.00           H  
HETATM   57  H14 UNL     1       3.547   0.312  -1.671  1.00  0.00           H  
HETATM   58  H15 UNL     1       6.855  -2.444  -0.355  1.00  0.00           H  
HETATM   59  H16 UNL     1       8.709  -0.582   1.715  1.00  0.00           H  
HETATM   60  H17 UNL     1      10.695   0.799   1.196  1.00  0.00           H  
HETATM   61  H18 UNL     1      11.975   1.990  -0.382  1.00  0.00           H  
HETATM   62  H19 UNL     1      10.311   1.678  -3.398  1.00  0.00           H  
HETATM   63  H20 UNL     1       7.468  -0.374  -2.331  1.00  0.00           H  
HETATM   64  H21 UNL     1       6.706  -0.535   2.032  1.00  0.00           H  
HETATM   65  H22 UNL     1       7.314  -2.220   1.904  1.00  0.00           H  
HETATM   66  H23 UNL     1      -0.803   2.695  -1.508  1.00  0.00           H  
HETATM   67  H24 UNL     1       1.213   2.422   0.119  1.00  0.00           H  
HETATM   68  H25 UNL     1      -1.612   2.402   1.370  1.00  0.00           H  
HETATM   69  H26 UNL     1      -3.002   3.315  -0.965  1.00  0.00           H  
HETATM   70  H27 UNL     1      -2.499   0.305   0.787  1.00  0.00           H  
HETATM   71  H28 UNL     1      -4.258   1.820   0.961  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4   44
CONECT    4    5   45
CONECT    5    6    6   11
CONECT    6    7   46
CONECT    7    8    8   47
CONECT    8    9   10
CONECT    9   48
CONECT   10   11   11   49
CONECT   11   50
CONECT   12   13
CONECT   13   14   51   52
CONECT   14   15   42   53
CONECT   15   16
CONECT   16   17   38   54
CONECT   17   18
CONECT   18   19   19   24
CONECT   19   20   55
CONECT   20   21   22   22
CONECT   21   56
CONECT   22   23   36
CONECT   23   24   24   25
CONECT   24   57
CONECT   25   26
CONECT   26   27   35   58
CONECT   27   28   28   34
CONECT   28   29   59
CONECT   29   30   30   60
CONECT   30   31   32
CONECT   31   61
CONECT   32   33   34   34
CONECT   33   62
CONECT   34   63
CONECT   35   36   64   65
CONECT   36   37   37
CONECT   38   39   40   66
CONECT   39   67
CONECT   40   41   42   68
CONECT   41   69
CONECT   42   43   70
CONECT   43   71
END

HMDB0039922
     RDKit          3D
Eriodictyol 7-(6-trans-p-coumaroylglucoside)
 71 75  0  0  0  0  0  0  0  0999 V2000
   -5.0080    0.5725   -2.8183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3833   -0.0330   -1.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7879   -0.0294   -1.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1636   -0.6790   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5183   -0.7304    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5604   -0.0858   -0.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8573   -0.1463    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1087   -0.8572    1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3862   -0.9485    1.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0787   -1.5110    1.9128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7821   -1.4448    1.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4723   -0.7357   -1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1115   -0.8535   -1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4078    0.4861   -1.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698    0.2638   -1.6069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    0.7899   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872    0.5628   -0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351   -0.0925   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -0.6937    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319   -1.3611    1.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573   -1.9475    2.9254 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0761   -1.3936    1.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410   -0.7953   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164   -0.1515   -0.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -0.8435   -0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7374   -1.4084    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9392   -0.5778   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8597   -0.2375    0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9748    0.5356    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2144    0.9983   -0.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3395    1.7737   -1.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3035    0.6626   -1.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5357    1.1225   -3.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.1047   -1.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5584   -1.5155    1.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2093   -2.0693    1.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -3.0583    2.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957    2.2641   -0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    2.9786    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8796    2.3505    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    3.5081   -0.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6602    1.1040    0.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129    1.4349    0.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5390    0.5210   -1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3420   -1.2114    0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4234    0.4892   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6544    0.3664   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7149   -0.2848    2.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2497   -2.0785    2.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0022   -1.9743    1.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8952   -1.4475   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6613   -1.4437   -0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502    1.1118   -2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5022    0.3611    0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.6684    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -2.4274    3.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    0.3119   -1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8552   -2.4442   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7086   -0.5819    1.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6954    0.7993    1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9748    1.9905   -0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3110    1.6784   -3.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4678   -0.3740   -2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061   -0.5351    2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141   -2.2201    1.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026    2.6948   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.4219    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115    2.4023    1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0020    3.3147   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4986    0.3046    0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2577    1.8203    0.9605 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
  8 10  1  0
 10 11  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 26 35  1  0
 35 36  1  0
 36 37  2  0
 16 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 11  5  1  0
 42 14  1  0
 24 18  1  0
 34 27  1  0
 36 22  1  0
  3 44  1  0
  4 45  1  0
  6 46  1  0
  7 47  1  0
  9 48  1  0
 10 49  1  0
 11 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 16 54  1  0
 19 55  1  0
 21 56  1  0
 24 57  1  0
 26 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 33 62  1  0
 34 63  1  0
 35 64  1  0
 35 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₃₀H₂₈O₁₃

Average Molecular Weight

596.5355

Monoisotopic Molecular Weight

596.152990982

IUPAC Name

(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

Traditional Name

(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O

InChI Identifier

InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-27(37)28(38)29(39)30(43-24)41-17-10-20(34)26-21(35)12-22(42-23(26)11-17)15-4-7-18(32)19(33)9-15/h1-11,22,24,27-34,37-39H,12-13H2/b8-3+

InChI Key

OGVBUVNWHBXNFL-FPYGCLRLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
Flavanone
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Hydroxyflavonoid
Flavan
Phenolic glycoside
Coumaric acid ester
Hydroxycinnamic acid or derivatives
Coumaric acid or derivatives
Cinnamic acid or derivatives
Cinnamic acid ester
Glycosyl compound
O-glycosyl compound
Chromone
1-benzopyran
Benzopyran
Chromane
Aryl ketone
Styrene
Aryl alkyl ketone
Catechol
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Fatty acid ester
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Monosaccharide
Fatty acyl
Oxane
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Ketone
Secondary alcohol
Carboxylic acid ester
Polyol
Ether
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Acetal
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Organic oxygen compound
Alcohol
Organic oxide
Carbonyl group
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039922)
Cytoplasm (HMDB: HMDB0039922)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039922)

Source

Exogenous

Exogenous (HMDB: HMDB0039922)

Food

Food (HMDB: HMDB0039922)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0039922)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039922)

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	0.24 g/L	ALOGPS
logP	2.46	ALOGPS
logP	2.99	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.94	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.67 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	146.96 m³·mol⁻¹	ChemAxon
Polarizability	57.99 Å³	ChemAxon
Number of Rings	5	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
DeepCCS	[M+H]+	234.647	30932474
DeepCCS	[M-H]-	232.822	30932474
DeepCCS	[M-2H]-	266.064	30932474
DeepCCS	[M+Na]+	240.306	30932474
AllCCS	[M+H]+	233.7	32859911
AllCCS	[M+H-H2O]+	232.5	32859911
AllCCS	[M+NH4]+	234.8	32859911
AllCCS	[M+Na]+	235.1	32859911
AllCCS	[M-H]-	225.9	32859911
AllCCS	[M+Na-2H]-	227.9	32859911
AllCCS	[M+HCOO]-	230.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Eriodictyol 7-(6-trans-p-coumaroylglucoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O	7212.0	Standard polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O	5230.9	Standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside)	OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O	5819.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #1	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O	5696.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O)C2O)C=C1	5747.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #3	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5707.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O2)=CC=C1O	5698.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O2)C=C1O	5728.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O	5705.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C1O	5714.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5633.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5654.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5631.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #12	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5650.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #13	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5663.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5660.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #15	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	5631.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5585.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #17	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5591.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5632.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5621.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #2	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5651.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5624.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #21	C[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C	5641.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O	5626.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #4	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	5597.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #5	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O	5653.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #6	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C	5645.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5690.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O)C(O)C2O)C=C1	5660.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O)C2O)C=C1	5628.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5520.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O	5499.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O	5516.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C	5491.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #13	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)=CC=C1O	5477.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #14	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5490.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #15	C[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5571.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5504.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5478.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5548.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #19	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5493.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5481.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O)C2O)C=C1	5508.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5487.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5463.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5462.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5436.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5511.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #26	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5541.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5468.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #28	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	5437.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	5503.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5457.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #30	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	5478.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5506.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #32	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5476.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5474.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5504.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5495.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5536.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #5	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5513.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #6	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5543.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #7	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5561.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5490.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),3TMS,isomer #9	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	5461.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #1	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5348.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #10	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5433.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #11	C[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5477.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O	5365.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #13	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)=CC=C1O	5338.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	5376.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #15	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	5349.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5360.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O	5417.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3O2)C=C1O[Si](C)(C)C	5393.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5403.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5330.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #20	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)=CC=C1O	5397.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O)C2O)C=C1	5381.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5359.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5327.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)O4)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5336.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5303.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5396.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O)C=C1	5382.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #28	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O)C=C1	5345.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5357.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5413.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1	5337.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O	5373.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #32	C[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)=CC=C1O	5349.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5336.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C)C=C3O[Si](C)(C)C)O2)C=C1O[Si](C)(C)C	5374.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	5403.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #4	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C)=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5392.3	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O)C2O[Si](C)(C)C)C=C1	5371.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5364.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5360.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1	5341.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),4TMS,isomer #9	C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C)=C5)OC4=C3)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1	5339.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O	5977.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O)C2O)C=C1	6008.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	5966.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O2)=CC=C1O	5964.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O2)C=C1O	5990.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O	5991.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C1O	5992.2	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1	6151.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1	6188.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O)=C5)OC4=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1	6162.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	6143.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	6159.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)C=C1O	6145.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(C2CC(=O)C3=C(C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O[Si](C)(C)C(C)(C)C)O2)=CC=C1O	6112.9	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)=CC=C1O	6084.8	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	6108.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	6126.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3O2)C=C1O	6124.7	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(OC2OC(COC(=O)/C=C/C3=CC=C(O)C=C3)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C(O)=C1)O2	6136.0	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	6144.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)OC(COC(=O)/C=C/C2=CC=C(O)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C	6163.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)C=C1O	6119.5	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2CC(=O)C3=C(O)C=C(OC4OC(COC(=O)/C=C/C5=CC=C(O)C=C5)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3O2)=CC=C1O	6085.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O	6170.6	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COC(=O)/C=C/C2=CC=C(O)C=C2)OC(OC2=CC(O)=C3C(=O)CC(C4=CC=C(O)C(O)=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C	6163.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)CC(C5=CC=C(O)C(O)=C5)O4)C(O[Si](C)(C)C(C)(C)C)=C3)C(O)C(O)C2O)C=C1	6177.1	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C5)OC4=C3)C(O)C(O)C2O)C=C1	6172.4	Semi standard non polar	33892256
Eriodictyol 7-(6-trans-p-coumaroylglucoside),2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC(O)=C4C(=O)CC(C5=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C5)OC4=C3)C(O)C(O)C2O)C=C1	6140.8	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 - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (Non-derivatized) - 70eV, Positive	splash10-05p2-3593220000-f9d406ee5f492cb609c3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (1 TMS) - 70eV, Positive	splash10-0015-4956204000-cb2cf9346eb5e895bd3f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-16	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 - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 10V, Positive-QTOF	splash10-000j-0590350000-3ae7821ac150ea4236bd	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 20V, Positive-QTOF	splash10-000i-0590000000-c9dc20b01e4d9a809299	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 40V, Positive-QTOF	splash10-0019-1930000000-f3b9bd07f52f4a2a35b7	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 10V, Negative-QTOF	splash10-01ot-0940130000-f784a3056de73a42be2e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 20V, Negative-QTOF	splash10-01pa-0950000000-7aa408ad78cf1af41104	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 40V, Negative-QTOF	splash10-029j-0960000000-646ecec9141d4fbeb23e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 10V, Negative-QTOF	splash10-0002-0000090000-c01c6e5c38e6cc32dbb8	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 20V, Negative-QTOF	splash10-052b-0000980000-c398b8c65fa2635dd6d6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 40V, Negative-QTOF	splash10-000i-0900400000-7b1aa9e0c38305d0cad9	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 10V, Positive-QTOF	splash10-0002-0000090000-517a05d3eec4e1319f87	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 20V, Positive-QTOF	splash10-01ot-0400960000-2d78a83cca127caf001b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Eriodictyol 7-(6-trans-p-coumaroylglucoside) 40V, Positive-QTOF	splash10-03di-0300900000-c7536bbd91a05c64e2d2	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

Not Available

FooDB ID

FDB019584

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752758

PDB ID

Not Available

ChEBI ID

168352

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Eriodictyol 7-(6-trans-p-coumaroylglucoside) (HMDB0039922)

MOL for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

3D MOL for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

3D SDF for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

3D-SDF for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

PDB for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

3D PDB for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

SMILES for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

INCHI for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

Structure for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

3D Structure for HMDB0039922 (Eriodictyol 7-(6-trans-p-coumaroylglucoside))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra