NP-MRD: Showing NP-Card for Cinnamtannin A2 (NP0048870)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-03-17 21:03:29 UTC

Updated at

2022-03-17 21:03:30 UTC

NP-MRD ID

NP0048870

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cinnamtannin A2

Description

Cinnamtannin A2 belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Cinnamtannin A2 is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Cinnamtannin A2 is found, on average, in the highest concentration within chocolates and cocoa powders. Cinnamtannin A2 has also been detected, but not quantified in, a few different foods, such as chinese cinnamons, cocoa beans, and herbs and spices. This could make cinnamtannin A2 a potential biomarker for the consumption of these foods. Cinnamtannin A2 is found in Areca catechu , Calluna vulgaris, Crataegus laevigata, Crataegus oxyacantha , Crataegus rhipidophylla, Crataegus sinaica, Dioscorea cirrhosa, Fallopia multiflora, Guazuma ulmifolia, Malus pumila, Pseudotsuga menziesii, Rhaphiolepis umbellata and Rumex acetosa. Cinnamtannin A2 was first documented in 2013 (PMID: 23563558). A proanthocyanidin isolated from Cinnamomum cassia.

Structure

MOL SDF PDB SMILES InChI

Cinnamtannin A2
  Mrv1572001071617282D          

 84 95  0  0  0  0            999 V2000
   -0.9466   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -4.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9466   -4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -4.5045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4823   -4.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4823   -3.2670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2322   -2.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9113   -1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9113   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901   -2.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -5.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -4.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402   -1.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402   -3.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -6.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -6.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -7.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -7.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -7.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -7.5232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8881   -7.1107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8881   -6.2857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1736   -5.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -4.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -5.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -6.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -5.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -5.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -8.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -7.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -4.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -6.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338   -8.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193  -10.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338  -10.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483  -10.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627  -10.4924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2772  -10.0799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2772   -9.2549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5627   -8.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -8.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -7.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -8.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952   -8.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338  -11.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917  -10.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351   -7.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351   -9.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541  -12.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251  -12.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251  -13.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396  -13.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541  -13.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685  -13.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830  -13.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6830  -12.2736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9685  -11.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975  -11.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120  -10.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975  -11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120  -12.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264  -11.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264  -11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106  -11.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396  -14.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975  -13.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5409  -10.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5409  -12.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396  -11.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  6  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  6  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 22 42  2  0  0  0  0
 42 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 26  1  0  0  0  0
 22 30  1  0  0  0  0
 26 27  1  0  0  0  0
 29 31  1  6  0  0  0
 33 31  2  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 32 36  2  0  0  0  0
 23 37  1  0  0  0  0
 25 38  1  0  0  0  0
 28 39  1  6  0  0  0
 36 40  1  0  0  0  0
 35 41  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 43 48  1  0  0  0  0
 43 52  1  0  0  0  0
 48 49  1  0  0  0  0
 51 53  1  6  0  0  0
 55 53  2  0  0  0  0
 53 56  1  0  0  0  0
 54 55  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 54 58  2  0  0  0  0
 45 59  1  0  0  0  0
 47 60  1  0  0  0  0
 50 61  1  6  0  0  0
 58 62  1  0  0  0  0
 57 63  1  0  0  0  0
 64 84  2  0  0  0  0
 84 65  1  0  0  0  0
 65 66  2  0  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 64 68  1  0  0  0  0
 64 72  1  0  0  0  0
 68 69  1  0  0  0  0
 71 73  1  6  0  0  0
 75 73  2  0  0  0  0
 73 76  1  0  0  0  0
 74 75  1  0  0  0  0
 76 77  2  0  0  0  0
 77 78  1  0  0  0  0
 74 78  2  0  0  0  0
 65 79  1  0  0  0  0
 67 80  1  0  0  0  0
 70 81  1  6  0  0  0
 78 82  1  0  0  0  0
 77 83  1  0  0  0  0
  7 42  1  1  0  0  0
 27 44  1  1  0  0  0
 49 84  1  1  0  0  0
M  END

Cinnamtannin A2
  Mrv1572001071617282D          

 84 95  0  0  0  0            999 V2000
   -0.9466   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3756   -4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -4.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9466   -4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2322   -4.5045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4823   -4.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4823   -3.2670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2322   -2.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9113   -1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9113   -3.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -2.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6257   -2.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901   -2.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -5.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -4.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402   -1.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3402   -3.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -6.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -6.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9698   -7.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -7.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4592   -7.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -7.5232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8881   -7.1107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8881   -6.2857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1736   -5.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -4.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -5.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3171   -6.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0315   -5.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6843   -5.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -8.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026   -7.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -4.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460   -6.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -5.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338   -8.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193   -9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4193  -10.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338  -10.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483  -10.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627  -10.4924    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2772  -10.0799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2772   -9.2549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5627   -8.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -8.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -7.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917   -8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   -9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -8.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4206   -8.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952   -8.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1338  -11.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917  -10.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351   -7.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351   -9.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541  -12.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251  -12.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251  -13.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396  -13.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541  -13.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685  -13.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830  -13.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6830  -12.2736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9685  -11.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975  -11.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120  -10.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975  -11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1120  -12.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264  -11.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8264  -11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1106  -11.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396  -14.3361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3975  -13.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5409  -10.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5409  -12.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5396  -11.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  6  0  0  0
 13 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
  8 19  1  6  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 22 42  2  0  0  0  0
 42 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 26  1  0  0  0  0
 22 30  1  0  0  0  0
 26 27  1  0  0  0  0
 29 31  1  6  0  0  0
 33 31  2  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 32 36  2  0  0  0  0
 23 37  1  0  0  0  0
 25 38  1  0  0  0  0
 28 39  1  6  0  0  0
 36 40  1  0  0  0  0
 35 41  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 43 48  1  0  0  0  0
 43 52  1  0  0  0  0
 48 49  1  0  0  0  0
 51 53  1  6  0  0  0
 55 53  2  0  0  0  0
 53 56  1  0  0  0  0
 54 55  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 54 58  2  0  0  0  0
 45 59  1  0  0  0  0
 47 60  1  0  0  0  0
 50 61  1  6  0  0  0
 58 62  1  0  0  0  0
 57 63  1  0  0  0  0
 64 84  2  0  0  0  0
 84 65  1  0  0  0  0
 65 66  2  0  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 64 68  1  0  0  0  0
 64 72  1  0  0  0  0
 68 69  1  0  0  0  0
 71 73  1  6  0  0  0
 75 73  2  0  0  0  0
 73 76  1  0  0  0  0
 74 75  1  0  0  0  0
 76 77  2  0  0  0  0
 77 78  1  0  0  0  0
 74 78  2  0  0  0  0
 65 79  1  0  0  0  0
 67 80  1  0  0  0  0
 70 81  1  6  0  0  0
 78 82  1  0  0  0  0
 77 83  1  0  0  0  0
  7 42  1  1  0  0  0
 27 44  1  1  0  0  0
 49 84  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0048870

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1

> <INCHI_KEY>
QFLMUASKTWGRQE-JNIIMKSASA-N

> <FORMULA>
C60H50O24

> <MOLECULAR_WEIGHT>
1155.036

> <EXACT_MASS>
1154.26920249

> <JCHEM_ACCEPTOR_COUNT>
24

> <JCHEM_ATOM_COUNT>
134

> <JCHEM_AVERAGE_POLARIZABILITY>
115.37779358534476

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
20

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <ALOGPS_LOGP>
4.05

> <JCHEM_LOGP>
5.757021010333332

> <ALOGPS_LOGS>
-3.30

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
12

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.020847148787773

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.610721987894308

> <JCHEM_PKA_STRONGEST_BASIC>
-5.2146223756239864

> <JCHEM_POLAR_SURFACE_AREA>
441.5200000000001

> <JCHEM_REFRACTIVITY>
291.52459999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.76e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Cinnamtannin A2                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0      -1.767  -6.098   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.101  -5.328   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.434  -6.098   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.434  -7.638   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.101  -8.408   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.767  -7.638   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.433  -8.408   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.900  -7.638   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.900  -6.098   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.433  -5.328   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.234  -5.328   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.568  -3.018   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.234  -3.788   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.568  -6.098   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.901  -5.328   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.901  -3.788   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.768  -5.328   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -3.101  -9.948   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.234  -8.408   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.235  -3.018   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.235  -6.098   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.857 -11.733   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.810 -11.733   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.810 -13.273   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.477 -14.043   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.857 -13.273   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.191 -14.043   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.524 -13.273   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.524 -11.733   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.191 -10.963   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.858 -10.963   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.192  -8.653   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.858  -9.423   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.192 -11.733   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.525 -10.963   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.525  -9.423   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -3.144 -10.963   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.477 -15.583   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.858 -14.043   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       8.859  -8.653   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       8.859 -11.733   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.477 -10.963   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.450 -17.276   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       2.116 -16.506   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       0.783 -17.276   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.783 -18.816   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       2.116 -19.586   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       3.450 -18.816   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       4.784 -19.586   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       6.117 -18.816   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       6.117 -17.276   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       4.784 -16.506   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       7.451 -16.506   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       8.785 -14.196   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.451 -14.966   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       8.785 -17.276   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      10.118 -16.506   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      10.118 -14.966   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      -0.551 -16.506   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0       2.116 -21.126   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0       7.451 -19.586   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      11.452 -14.196   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      11.452 -17.276   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0       6.074 -22.911   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       3.407 -22.911   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0       3.407 -24.451   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       4.741 -25.221   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0       6.074 -24.451   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       7.408 -25.221   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       8.742 -24.451   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       8.742 -22.911   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0       7.408 -22.141   0.000  0.00  0.00           O+0
HETATM   73  C   UNK     0      10.075 -22.141   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      11.409 -19.831   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      10.075 -20.601   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      11.409 -22.911   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      12.743 -22.141   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      12.743 -20.601   0.000  0.00  0.00           C+0
HETATM   79  O   UNK     0       2.073 -22.141   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0       4.741 -26.761   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0      10.075 -25.221   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      14.076 -19.831   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0      14.076 -22.911   0.000  0.00  0.00           O+0
HETATM   84  C   UNK     0       4.741 -22.141   0.000  0.00  0.00           C+0
CONECT    1    2    6   10                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   17                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    1    7                                                  
CONECT    7    8    6   42                                                  
CONECT    8    7    9   19                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    1                                                       
CONECT   11    9   13   14                                                  
CONECT   12   13   16                                                       
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   12   20                                                  
CONECT   17    3                                                            
CONECT   18    5                                                            
CONECT   19    8                                                            
CONECT   20   16                                                            
CONECT   21   15                                                            
CONECT   22   42   26   30                                                  
CONECT   23   42   24   37                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   38                                                  
CONECT   26   25   22   27                                                  
CONECT   27   28   26   44                                                  
CONECT   28   27   29   39                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29   22                                                       
CONECT   31   29   33   34                                                  
CONECT   32   33   36                                                       
CONECT   33   31   32                                                       
CONECT   34   31   35                                                       
CONECT   35   34   36   41                                                  
CONECT   36   35   32   40                                                  
CONECT   37   23                                                            
CONECT   38   25                                                            
CONECT   39   28                                                            
CONECT   40   36                                                            
CONECT   41   35                                                            
CONECT   42   22   23    7                                                  
CONECT   43   44   48   52                                                  
CONECT   44   43   45   27                                                  
CONECT   45   44   46   59                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   60                                                  
CONECT   48   47   43   49                                                  
CONECT   49   50   48   84                                                  
CONECT   50   49   51   61                                                  
CONECT   51   50   52   53                                                  
CONECT   52   51   43                                                       
CONECT   53   51   55   56                                                  
CONECT   54   55   58                                                       
CONECT   55   53   54                                                       
CONECT   56   53   57                                                       
CONECT   57   56   58   63                                                  
CONECT   58   57   54   62                                                  
CONECT   59   45                                                            
CONECT   60   47                                                            
CONECT   61   50                                                            
CONECT   62   58                                                            
CONECT   63   57                                                            
CONECT   64   84   68   72                                                  
CONECT   65   84   66   79                                                  
CONECT   66   65   67                                                       
CONECT   67   66   68   80                                                  
CONECT   68   67   64   69                                                  
CONECT   69   70   68                                                       
CONECT   70   69   71   81                                                  
CONECT   71   70   72   73                                                  
CONECT   72   71   64                                                       
CONECT   73   71   75   76                                                  
CONECT   74   75   78                                                       
CONECT   75   73   74                                                       
CONECT   76   73   77                                                       
CONECT   77   76   78   83                                                  
CONECT   78   77   74   82                                                  
CONECT   79   65                                                            
CONECT   80   67                                                            
CONECT   81   70                                                            
CONECT   82   78                                                            
CONECT   83   77                                                            
CONECT   84   64   65   49                                                  
MASTER        0    0    0    0    0    0    0    0   84    0  190    0
END

View in JSmol

Synonyms

Value	Source
Cinnamtannin I	HMDB
Epicatechin tetramer	HMDB
[Epicatechin(4b->8)]3-epicatechin	HMDB

Chemical Formula

C₆₀H₅₀O₂₄

Average Mass

1155.0360 Da

Monoisotopic Mass

1154.26920 Da

IUPAC Name

(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Traditional Name

CAS Registry Number

86631-38-1

SMILES

O[C@@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=C([C@@H]5[C@@H](O)[C@H](OC6=C([C@@H]7[C@@H](O)[C@H](OC8=CC(O)=CC(O)=C78)C7=CC=C(O)C(O)=C7)C(O)=CC(O)=C56)C5=CC=C(O)C(O)=C5)C(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1

InChI Identifier

InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1

InChI Key

QFLMUASKTWGRQE-JNIIMKSASA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Areca catechu	Plant	KNApSAcK
Calluna vulgaris	LOTUS Database	35616633
Cinnamomum aromaticum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Crataegus laevigata	LOTUS Database	35616633
Crataegus oxyacantha	Plant	KNApSAcK
Crataegus rhipidophylla	LOTUS Database	35616633
Crataegus sinaica	LOTUS Database	35616633
Dioscorea cirrhosa	Plant	KNApSAcK
Fallopia multiflora	LOTUS Database	35616633
Guazuma ulmifolia	LOTUS Database	35616633
Malus pumila	LOTUS Database	35616633
Pseudotsuga menziesii	Plant	KNApSAcK
Rhaphiolepis umbellata	Plant	KNApSAcK
Rumex acetosa	LOTUS Database	35616633
Theobroma cacao	FooDB	KNAPSACK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

C-type proanthocyanidin
B-type proanthocyanidin
Bi- and polyflavonoid skeleton
Proanthocyanidin
Catechin
Flavan-3-ol
Hydroxyflavonoid
3'-hydroxyflavonoid
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
Flavan
Chromane
1-benzopyran
Benzopyran
Catechol
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Ether
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

proanthocyanidin (CHEBI:81227 )

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	4.05	ALOGPS
logP	5.76	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	8.61	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	24	ChemAxon
Hydrogen Donor Count	20	ChemAxon
Polar Surface Area	441.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	291.52 m³·mol⁻¹	ChemAxon
Polarizability	115.38 Å³	ChemAxon
Number of Rings	12	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0037661

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16130899

PDB ID

Not Available

ChEBI ID

81227

Good Scents ID

Not Available

References

General References

Yamashita Y, Okabe M, Natsume M, Ashida H: Cinnamtannin A2, a tetrameric procyanidin, increases GLP-1 and insulin secretion in mice. Biosci Biotechnol Biochem. 2013;77(4):888-91. doi: 10.1271/bbb.130095. Epub 2013 Apr 7. [PubMed:23563558 ]

Showing NP-Card for Cinnamtannin A2 (NP0048870)

MOL for NP0048870 (Cinnamtannin A2)

3D MOL for NP0048870 (Cinnamtannin A2)

3D SDF for NP0048870 (Cinnamtannin A2)

3D-SDF for NP0048870 (Cinnamtannin A2)

PDB for NP0048870 (Cinnamtannin A2)

3D PDB for NP0048870 (Cinnamtannin A2)

SMILES for NP0048870 (Cinnamtannin A2)

INCHI for NP0048870 (Cinnamtannin A2)

Structure for NP0048870 (Cinnamtannin A2)

3D Structure for NP0048870 (Cinnamtannin A2)