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Showing metabocard for Isopeonidin 3-glucoside (HMDB0041752)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 03:40:31 UTC
Update Date2022-03-07 02:57:11 UTC
HMDB IDHMDB0041752
Secondary Accession Numbers
  • HMDB41752
Metabolite Identification
Common NameIsopeonidin 3-glucoside
DescriptionIsopeonidin 3-glucoside belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Isopeonidin 3-glucoside is a polyphenol metabolite detected in biological fluids. Isopeonidin 3-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863698
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0041752 (Isopeonidin 3-glucoside)


  Mrv0541 02271201312D          

 33 36  0  0  1  0            999 V2000
    1.4289    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.4000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
  9 21  1  0  0  0  0
 27 11  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
  4 33  1  0  0  0  0
M  CHG  1  21   1
M  END
Download

3D MOL for HMDB0041752 (Isopeonidin 3-glucoside)

HMDB0041752
     RDKit          3D
Isopeonidin 3-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
   -5.3942    4.3640   -1.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936    4.2179   -1.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926    3.1022   -1.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1679    2.1282   -0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.0112   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005    0.7994   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.4132    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.2523    0.8791 O   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2765   -2.3820    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529   -3.2012    1.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9706   -4.3944    2.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0076   -5.2019    3.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -4.8064    2.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -4.0001    2.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6387   -4.4160    2.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -2.8101    1.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.9515    1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633   -0.7496    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    0.0530   -0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685   -0.0465   -0.0997 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6008    0.9906    0.5872 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    0.8788    0.5979 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6628    2.1579    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    3.2166    1.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326   -0.2572   -0.1664 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6169   -1.3717    0.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -0.5662   -1.4689 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6745   -0.2586   -2.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.0619   -1.5302 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6788   -0.5495   -2.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    1.7836   -0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369    2.9225   -1.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256    3.8804   -1.9577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8178    3.5454   -2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7925    4.2780   -0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6906    5.3639   -2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2453    2.2660   -0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593    0.2858    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2861   -2.8708    1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3851   -5.8822    2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582   -5.7588    3.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247   -3.9184    2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021   -2.2232    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -0.9765    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    0.7352    1.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4218    2.3919   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625    2.0196    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384    3.9276    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    0.0076   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938   -1.1245    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -1.6847   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -0.9934   -2.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    1.1275   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    0.1267   -2.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745    1.7189   -0.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247    4.6986   -2.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 32  3  1  0
 18  7  1  0
 29 20  1  0
 16  9  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  4 37  1  0
  5 38  1  0
 10 39  1  0
 12 40  1  0
 13 41  1  0
 15 42  1  0
 17 43  1  0
 20 44  1  1
 22 45  1  1
 23 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  6
 26 50  1  0
 27 51  1  1
 28 52  1  0
 29 53  1  6
 30 54  1  0
 31 55  1  0
 33 56  1  0
M  CHG  1   8   1
M  END
Download

3D SDF for HMDB0041752 (Isopeonidin 3-glucoside)


  Mrv0541 02271201312D          

 33 36  0  0  1  0            999 V2000
    1.4289    1.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2869    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.4000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -1.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -1.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
  9 21  1  0  0  0  0
 27 11  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  6  0  0  0
 25 29  1  1  0  0  0
 24 30  1  6  0  0  0
 23 31  1  1  0  0  0
 31 32  1  0  0  0  0
  4 33  1  0  0  0  0
M  CHG  1  21   1
M  END
> <DATABASE_ID>
HMDB0041752

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1

> <INCHI_IDENTIFIER>
InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1

> <INCHI_KEY>
CNTWHHYMFNSRNJ-OUUKCGNVSA-O

> <FORMULA>
C22H23O11

> <MOLECULAR_WEIGHT>
463.4114

> <EXACT_MASS>
463.124036578

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
45.22040027794251

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <ALOGPS_LOGP>
0.62

> <JCHEM_LOGP>
0.41869999999999963

> <ALOGPS_LOGS>
-2.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
7.5846623608528665

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.399039990648554

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923799280262

> <JCHEM_POLAR_SURFACE_AREA>
182.44

> <JCHEM_REFRACTIVITY>
120.73979999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.06e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0041752 (Isopeonidin 3-glucoside)

HMDB0041752
     RDKit          3D
Isopeonidin 3-glucoside
 56 59  0  0  0  0  0  0  0  0999 V2000
   -5.3942    4.3640   -1.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936    4.2179   -1.9334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926    3.1022   -1.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1679    2.1282   -0.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.0112   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005    0.7994   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.4132    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851   -1.2523    0.8791 O   0  0  0  0  0  3  0  0  0  0  0  0
   -2.2765   -2.3820    1.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2529   -3.2012    1.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9706   -4.3944    2.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0076   -5.2019    3.0897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -4.8064    2.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -4.0001    2.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6387   -4.4160    2.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9510   -2.8101    1.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.9515    1.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3633   -0.7496    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    0.0530   -0.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9685   -0.0465   -0.0997 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6008    0.9906    0.5872 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    0.8788    0.5979 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6628    2.1579    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    3.2166    1.0141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326   -0.2572   -0.1664 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6169   -1.3717    0.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -0.5662   -1.4689 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6745   -0.2586   -2.5695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.0619   -1.5302 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6788   -0.5495   -2.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    1.7836   -0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0369    2.9225   -1.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256    3.8804   -1.9577 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8178    3.5454   -2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7925    4.2780   -0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6906    5.3639   -2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2453    2.2660   -0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593    0.2858    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2861   -2.8708    1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3851   -5.8822    2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582   -5.7588    3.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247   -3.9184    2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021   -2.2232    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -0.9765    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    0.7352    1.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4218    2.3919   -0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625    2.0196    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384    3.9276    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6080    0.0076   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938   -1.1245    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -1.6847   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346   -0.9934   -2.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    1.1275   -1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856    0.1267   -2.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3745    1.7189   -0.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247    4.6986   -2.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 32  3  1  0
 18  7  1  0
 29 20  1  0
 16  9  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  4 37  1  0
  5 38  1  0
 10 39  1  0
 12 40  1  0
 13 41  1  0
 15 42  1  0
 17 43  1  0
 20 44  1  1
 22 45  1  1
 23 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  6
 26 50  1  0
 27 51  1  1
 28 52  1  0
 29 53  1  6
 30 54  1  0
 31 55  1  0
 33 56  1  0
M  CHG  1   8   1
M  END
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PDB for HMDB0041752 (Isopeonidin 3-glucoside)

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  O   UNK     0       2.667   3.710   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.334   4.480   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   6.020   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.667   6.790   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.000   6.790   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   6.020   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334   4.480   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   3.710   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   3.710   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   2.170   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.334   1.400   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -4.001   1.400   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335   2.170   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.668   1.400   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -6.668  -0.140   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -8.002   2.170   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.002   3.710   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -9.336   4.480   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -6.668   4.480   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335   3.710   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.001   4.480   0.000  0.00  0.00           O+1
HETATM   22  O   UNK     0      -2.667  -0.910   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.667  -2.450   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334  -3.220   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000  -2.450   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000  -0.910   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334  -0.140   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       1.334  -0.140   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.334  -3.220   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.334  -4.760   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.001  -3.220   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.001  -4.760   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.667   8.330   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3   33                                                       
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   21                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10   27                                                       
CONECT   12   10   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   13   21                                                  
CONECT   21   20    9                                                       
CONECT   22   23   27                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   30                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27   28                                                  
CONECT   27   11   26   22                                                  
CONECT   28   26                                                            
CONECT   29   25                                                            
CONECT   30   24                                                            
CONECT   31   23   32                                                       
CONECT   32   31                                                            
CONECT   33    4                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END
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3D PDB for HMDB0041752 (Isopeonidin 3-glucoside)

COMPND    HMDB0041752
HETATM    1  C1  UNL     1      -5.394   4.364  -1.908  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.994   4.218  -1.933  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.393   3.102  -1.383  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.168   2.128  -0.806  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.590   1.011  -0.253  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.201   0.799  -0.243  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.682  -0.413   0.365  1.00  0.00           C  
HETATM    8  O2  UNL     1      -2.585  -1.252   0.879  1.00  0.00           O1+
HETATM    9  C7  UNL     1      -2.277  -2.382   1.459  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.253  -3.201   1.967  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.971  -4.394   2.583  1.00  0.00           C  
HETATM   12  O3  UNL     1      -4.008  -5.202   3.090  1.00  0.00           O  
HETATM   13  C10 UNL     1      -1.656  -4.806   2.705  1.00  0.00           C  
HETATM   14  C11 UNL     1      -0.657  -4.000   2.202  1.00  0.00           C  
HETATM   15  O4  UNL     1       0.639  -4.416   2.328  1.00  0.00           O  
HETATM   16  C12 UNL     1      -0.951  -2.810   1.589  1.00  0.00           C  
HETATM   17  C13 UNL     1      -0.017  -1.952   1.062  1.00  0.00           C  
HETATM   18  C14 UNL     1      -0.363  -0.750   0.447  1.00  0.00           C  
HETATM   19  O5  UNL     1       0.607   0.053  -0.052  1.00  0.00           O  
HETATM   20  C15 UNL     1       1.968  -0.046  -0.100  1.00  0.00           C  
HETATM   21  O6  UNL     1       2.601   0.991   0.587  1.00  0.00           O  
HETATM   22  C16 UNL     1       3.960   0.879   0.598  1.00  0.00           C  
HETATM   23  C17 UNL     1       4.663   2.158   0.173  1.00  0.00           C  
HETATM   24  O7  UNL     1       4.345   3.217   1.014  1.00  0.00           O  
HETATM   25  C18 UNL     1       4.533  -0.257  -0.166  1.00  0.00           C  
HETATM   26  O8  UNL     1       4.617  -1.372   0.668  1.00  0.00           O  
HETATM   27  C19 UNL     1       3.883  -0.566  -1.469  1.00  0.00           C  
HETATM   28  O9  UNL     1       4.674  -0.259  -2.570  1.00  0.00           O  
HETATM   29  C20 UNL     1       2.527   0.062  -1.530  1.00  0.00           C  
HETATM   30  O10 UNL     1       1.679  -0.549  -2.438  1.00  0.00           O  
HETATM   31  C21 UNL     1      -1.446   1.784  -0.823  1.00  0.00           C  
HETATM   32  C22 UNL     1      -2.037   2.922  -1.387  1.00  0.00           C  
HETATM   33  O11 UNL     1      -1.226   3.880  -1.958  1.00  0.00           O  
HETATM   34  H1  UNL     1      -5.818   3.545  -2.545  1.00  0.00           H  
HETATM   35  H2  UNL     1      -5.792   4.278  -0.858  1.00  0.00           H  
HETATM   36  H3  UNL     1      -5.691   5.364  -2.259  1.00  0.00           H  
HETATM   37  H4  UNL     1      -5.245   2.266  -0.800  1.00  0.00           H  
HETATM   38  H5  UNL     1      -4.259   0.286   0.183  1.00  0.00           H  
HETATM   39  H6  UNL     1      -4.286  -2.871   1.868  1.00  0.00           H  
HETATM   40  H7  UNL     1      -4.385  -5.882   2.433  1.00  0.00           H  
HETATM   41  H8  UNL     1      -1.458  -5.759   3.198  1.00  0.00           H  
HETATM   42  H9  UNL     1       1.425  -3.918   2.005  1.00  0.00           H  
HETATM   43  H10 UNL     1       1.002  -2.223   1.132  1.00  0.00           H  
HETATM   44  H11 UNL     1       2.335  -0.977   0.369  1.00  0.00           H  
HETATM   45  H12 UNL     1       4.264   0.735   1.678  1.00  0.00           H  
HETATM   46  H13 UNL     1       4.422   2.392  -0.882  1.00  0.00           H  
HETATM   47  H14 UNL     1       5.762   2.020   0.215  1.00  0.00           H  
HETATM   48  H15 UNL     1       3.938   3.928   0.465  1.00  0.00           H  
HETATM   49  H16 UNL     1       5.608   0.008  -0.397  1.00  0.00           H  
HETATM   50  H17 UNL     1       4.594  -1.124   1.628  1.00  0.00           H  
HETATM   51  H18 UNL     1       3.730  -1.685  -1.505  1.00  0.00           H  
HETATM   52  H19 UNL     1       5.335  -0.993  -2.730  1.00  0.00           H  
HETATM   53  H20 UNL     1       2.607   1.127  -1.808  1.00  0.00           H  
HETATM   54  H21 UNL     1       1.086   0.127  -2.850  1.00  0.00           H  
HETATM   55  H22 UNL     1      -0.374   1.719  -0.868  1.00  0.00           H  
HETATM   56  H23 UNL     1      -1.625   4.699  -2.364  1.00  0.00           H  
CONECT    1    2   34   35   36
CONECT    2    3
CONECT    3    4    4   32
CONECT    4    5   37
CONECT    5    6    6   38
CONECT    6    7   31
CONECT    7    8    8   18
CONECT    8    9
CONECT    9   10   10   16
CONECT   10   11   39
CONECT   11   12   13   13
CONECT   12   40
CONECT   13   14   41
CONECT   14   15   16   16
CONECT   15   42
CONECT   16   17
CONECT   17   18   18   43
CONECT   18   19
CONECT   19   20
CONECT   20   21   29   44
CONECT   21   22
CONECT   22   23   25   45
CONECT   23   24   46   47
CONECT   24   48
CONECT   25   26   27   49
CONECT   26   50
CONECT   27   28   29   51
CONECT   28   52
CONECT   29   30   53
CONECT   30   54
CONECT   31   32   32   55
CONECT   32   33
CONECT   33   56
END
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SMILES for HMDB0041752 (Isopeonidin 3-glucoside)

COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1
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INCHI for HMDB0041752 (Isopeonidin 3-glucoside)

InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Isopeonidin 3-O-glucosideHMDB
Chemical FormulaC22H23O11
Average Molecular Weight463.4114
Monoisotopic Molecular Weight463.124036578
IUPAC Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
Traditional Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium
CAS Registry NumberNot Available
SMILES
COC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]1
InChI Identifier
InChI=1S/C22H22O11/c1-30-14-3-2-9(4-13(14)26)21-16(7-11-12(25)5-10(24)6-15(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
InChI KeyCNTWHHYMFNSRNJ-OUUKCGNVSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentAnthocyanidin-3-O-glycosides
Alternative Parents
Substituents
  • Anthocyanidin-3-o-glycoside
  • Flavonoid-3-o-glycoside
  • 4p-methoxyflavonoid-skeleton
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • Anthocyanidin
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Methoxyphenol
  • 1-benzopyran
  • Benzopyran
  • Methoxybenzene
  • Phenoxy compound
  • Anisole
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Benzenoid
  • Monocyclic benzene moiety
  • Monosaccharide
  • Oxane
  • Heteroaromatic compound
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Acetal
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organooxygen compound
  • Primary alcohol
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.51 g/LALOGPS
logP0.62ALOGPS
logP0.42ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)6.4ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area182.44 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity120.74 m³·mol⁻¹ChemAxon
Polarizability45.22 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+204.71631661259
DarkChem[M-H]-201.46431661259
DeepCCS[M+H]+197.28130932474
DeepCCS[M-H]-195.45630932474
DeepCCS[M-2H]-228.70130932474
DeepCCS[M+Na]+202.88730932474
AllCCS[M+H]+207.432859911
AllCCS[M+H-H2O]+205.132859911
AllCCS[M+NH4]+209.532859911
AllCCS[M+Na]+210.132859911
AllCCS[M-H]-205.232859911
AllCCS[M+Na-2H]-205.832859911
AllCCS[M+HCOO]-206.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Isopeonidin 3-glucosideCOC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]16000.1Standard polar33892256
Isopeonidin 3-glucosideCOC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]14449.0Standard non polar33892256
Isopeonidin 3-glucosideCOC1=C(O)C=C(C=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2C(O)=CC(O)=CC2=[O+]14452.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Isopeonidin 3-glucoside,1TMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C4228.6Semi standard non polar33892256
Isopeonidin 3-glucoside,1TMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4179.2Semi standard non polar33892256
Isopeonidin 3-glucoside,1TMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O4190.5Semi standard non polar33892256
Isopeonidin 3-glucoside,1TMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O4196.8Semi standard non polar33892256
Isopeonidin 3-glucoside,1TMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O4219.2Semi standard non polar33892256
Isopeonidin 3-glucoside,1TMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4202.1Semi standard non polar33892256
Isopeonidin 3-glucoside,1TMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4224.0Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C4056.2Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #10COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O4026.7Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #11COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O4047.2Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #12COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3986.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #13COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3990.3Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #14COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O4018.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #15COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O4025.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #16COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3975.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #17COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3979.1Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #18COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O4039.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #19COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3999.3Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C4063.7Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #20COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O4003.9Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #21COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4019.2Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C4055.7Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C4063.9Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C4061.4Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C4086.6Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O3993.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #8COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O3995.4Semi standard non polar33892256
Isopeonidin 3-glucoside,2TMS,isomer #9COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O4043.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3932.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #10COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3971.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #11COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3940.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #12COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3968.3Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #13COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3960.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #14COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3961.6Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #15COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3973.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #16COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O3857.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #17COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3872.1Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #18COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3833.6Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #19COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3855.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3899.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #20COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3867.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #21COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3830.6Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #22COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3853.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #23COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3926.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #24COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3957.4Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #25COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3921.4Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #26COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3874.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #27COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3854.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #28COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3851.6Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #29COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3847.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3906.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #30COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3847.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #31COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3940.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #32COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3862.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #33COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3857.1Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #34COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3853.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #35COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3882.1Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3884.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3914.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3888.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3897.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #8COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3878.9Semi standard non polar33892256
Isopeonidin 3-glucoside,3TMS,isomer #9COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3906.4Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3845.2Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #10COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3852.5Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #11COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3838.7Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #12COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3808.6Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #13COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3829.9Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #14COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3835.9Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #15COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3832.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #16COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3837.4Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #17COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3906.8Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #18COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3926.1Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #19COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3898.9Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3855.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #20COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3928.9Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #21COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O3818.7Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #22COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3805.1Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #23COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3812.6Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #24COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3820.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #25COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3830.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #26COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3807.6Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #27COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3804.1Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #28COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3817.7Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #29COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3792.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3844.4Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #30COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3925.1Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #31COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3832.8Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #32COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3828.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #33COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3842.7Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #34COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3826.6Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #35COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3821.3Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3858.6Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3857.5Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3825.6Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3847.4Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #8COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3852.5Semi standard non polar33892256
Isopeonidin 3-glucoside,4TMS,isomer #9COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3847.3Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C3833.0Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #10COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3858.2Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #11COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3834.9Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #12COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3839.9Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #13COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3822.3Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #14COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3847.7Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #15COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3906.8Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #16COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O3813.1Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #17COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O3817.1Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #18COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3796.2Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #19COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3850.4Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3821.6Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #20COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3832.9Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #21COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3818.3Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3825.6Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3849.1Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3837.6Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3836.9Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3853.1Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #8COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3854.7Semi standard non polar33892256
Isopeonidin 3-glucoside,5TMS,isomer #9COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3837.2Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C3853.8Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3846.2Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3837.3Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3859.2Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3881.7Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C3869.4Semi standard non polar33892256
Isopeonidin 3-glucoside,6TMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1O3829.8Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4501.7Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4471.5Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4465.2Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4465.7Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4489.4Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4457.8Semi standard non polar33892256
Isopeonidin 3-glucoside,1TBDMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4477.1Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4576.1Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #10COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4497.0Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #11COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4527.4Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #12COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4535.5Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #13COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4516.8Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #14COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4505.6Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #15COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4526.3Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #16COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4525.8Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #17COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4509.7Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #18COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4535.7Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #19COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4543.3Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4552.9Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #20COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4524.6Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #21COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4575.3Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4545.0Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4555.1Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4546.4Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4568.4Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4530.4Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #8COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4507.1Semi standard non polar33892256
Isopeonidin 3-glucoside,2TBDMS,isomer #9COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4516.9Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #1COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4719.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #10COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4604.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #11COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4584.9Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #12COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4613.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #13COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4604.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #14COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4618.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #15COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4629.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #16COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O4670.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #17COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4606.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #18COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4582.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #19COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4610.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #2COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4650.3Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #20COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4578.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #21COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4554.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #22COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4585.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #23COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4565.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #24COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4597.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #25COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4560.6Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #26COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O4695.3Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #27COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4601.0Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #28COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4612.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #29COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4573.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #3COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4664.3Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #30COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4587.9Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #31COC1=CC=C(C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4582.7Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #32COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O4682.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #33COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4617.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #34COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4593.8Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #35COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O4696.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #4COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4652.2Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #5COC1=CC=C(C2=[O+]C3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4669.9Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #6COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4620.5Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #7COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4638.4Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #8COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1O[Si](C)(C)C(C)(C)C4626.6Semi standard non polar33892256
Isopeonidin 3-glucoside,3TBDMS,isomer #9COC1=CC=C(C2=[O+]C3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C4645.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Isopeonidin 3-glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ab9-9202500000-bbcf2e1db0ca51fa194f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isopeonidin 3-glucoside GC-MS (3 TMS) - 70eV, Positivesplash10-08fr-6200009000-03ded38a9a7024102a712017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Isopeonidin 3-glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopeonidin 3-glucoside 10V, Positive-QTOFsplash10-0udj-0079400000-d1c25e4012777c91ebb72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopeonidin 3-glucoside 20V, Positive-QTOFsplash10-0uk9-0298000000-7f9efe7a74743f249ef62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopeonidin 3-glucoside 40V, Positive-QTOFsplash10-00di-1891000000-4138b131fe0c83621e872017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopeonidin 3-glucoside 10V, Positive-QTOFsplash10-0w29-0007900000-3e8760eab1a56c6430d22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopeonidin 3-glucoside 20V, Positive-QTOFsplash10-0udi-1019300000-d0807a052285b005fdd62021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Isopeonidin 3-glucoside 40V, Positive-QTOFsplash10-0udl-4095200000-0f526fd3c49f3b51e9532021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB029922
KNApSAcK IDNot Available
Chemspider ID8116679
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9941060
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]