NP-MRD: Showing NP-Card for Fraxin (NP0043877)

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Record Information

Version

2.0

Created at

2021-06-22 17:27:07 UTC

Updated at

2021-08-20 00:00:47 UTC

NP-MRD ID

NP0043877

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Fraxin

Description

Fraxin belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Fraxin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Fraxin is found in Actinidia chinensis, Aesculus turbinata, Apis cerana, Tetradium glabrifolium, Fraxinus angustifolia, Fraxinus chinensis, Fraxinus floribunda, Fraxinus mandshurica, Fraxinus micrantha, Fraxinus pallisae, Lupinus angustifolius, Prunus prostrata, Rhododendron groenlandicum, Sarcandra glabra and Weigela subsessilis. Fraxin was first documented in 1992 (PMID: 1298368). Based on a literature review a small amount of articles have been published on fraxin (PMID: 26945887) (PMID: 28383514) (PMID: 28922728) (PMID: 30348388).

Structure

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


  Mrv1652306222119272D          

 26 28  0  0  1  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  6  0  0  0
 21 22  1  0  0  0  0
 18 23  1  1  0  0  0
 17 24  1  6  0  0  0
 16 25  1  1  0  0  0
  4 26  1  0  0  0  0
M  END

NP0043877
     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.2003    1.8080    2.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383    1.9850    1.6775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    0.9604    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343   -0.3256    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304   -1.3890    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832   -2.6773    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788   -3.7097    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -3.3635   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -4.2906   -0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536   -2.1278   -0.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758   -1.0963   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    0.2000   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.4545   -0.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    0.5185   -0.4485 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6395   -0.6396   -0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.6045   -0.7695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5457   -1.9835   -1.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371   -1.9406   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4725    0.3616   -1.8490 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8375    0.3047   -2.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    1.7261   -1.3318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2392    2.6950   -2.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7144    1.7782   -0.7186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7869    2.5874    0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    1.2118    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912    2.5436    0.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402    1.2817    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    1.2489    3.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    2.8110    2.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364   -0.5265    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699   -2.8757    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883   -4.7525    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.3922    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525   -0.2740    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1851   -2.7367   -0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159   -2.2768   -2.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2319   -1.2642   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8991    0.1860   -2.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2014    1.1280   -2.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8459    1.9885   -0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7084    3.4967   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810    2.3881   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    2.0282    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665    2.7703   -0.2652 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  2  0
 25 26  1  0
 25  3  1  0
 11  5  2  0
 23 14  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  7 32  1  0
 14 33  1  1
 16 34  1  1
 17 35  1  0
 17 36  1  0
 18 37  1  0
 19 38  1  6
 20 39  1  0
 21 40  1  1
 22 41  1  0
 23 42  1  6
 24 43  1  0
 26 44  1  0
M  END


  Mrv1652306222119272D          

 26 28  0  0  1  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  6 13  1  0  0  0  0
  5 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  6  0  0  0
 21 22  1  0  0  0  0
 18 23  1  1  0  0  0
 17 24  1  6  0  0  0
 16 25  1  1  0  0  0
  4 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0043877

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2OC(=O)C=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1

> <INCHI_KEY>
CRSFLLTWRCYNNX-QBNNUVSCSA-N

> <FORMULA>
C16H18O10

> <MOLECULAR_WEIGHT>
370.31

> <EXACT_MASS>
370.08999678

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
33.987488403435265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-hydroxy-6-methoxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one

> <ALOGPS_LOGP>
-0.66

> <JCHEM_LOGP>
-1.249510387

> <ALOGPS_LOGS>
-1.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.200072099888274

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.622924062744247

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923662585243

> <JCHEM_POLAR_SURFACE_AREA>
155.14000000000001

> <JCHEM_REFRACTIVITY>
84.11800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-hydroxy-6-methoxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

NP0043877
     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.2003    1.8080    2.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383    1.9850    1.6775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    0.9604    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343   -0.3256    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304   -1.3890    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832   -2.6773    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788   -3.7097    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -3.3635   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -4.2906   -0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536   -2.1278   -0.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758   -1.0963   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    0.2000   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.4545   -0.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    0.5185   -0.4485 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6395   -0.6396   -0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.6045   -0.7695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5457   -1.9835   -1.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371   -1.9406   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4725    0.3616   -1.8490 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8375    0.3047   -2.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    1.7261   -1.3318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2392    2.6950   -2.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7144    1.7782   -0.7186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7869    2.5874    0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    1.2118    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912    2.5436    0.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402    1.2817    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    1.2489    3.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    2.8110    2.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364   -0.5265    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699   -2.8757    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883   -4.7525    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.3922    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525   -0.2740    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1851   -2.7367   -0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159   -2.2768   -2.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2319   -1.2642   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8991    0.1860   -2.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2014    1.1280   -2.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8459    1.9885   -0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7084    3.4967   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810    2.3881   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    2.0282    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665    2.7703   -0.2652 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  2  0
 25 26  1  0
 25  3  1  0
 11  5  2  0
 23 14  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  7 32  1  0
 14 33  1  1
 16 34  1  1
 17 35  1  0
 17 36  1  0
 18 37  1  0
 19 38  1  6
 20 39  1  0
 21 40  1  1
 22 41  1  0
 23 42  1  6
 24 43  1  0
 26 44  1  0
M  END

HEADER    PROTEIN                                 22-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5   26                                                  
CONECT    5    4    6   14                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7    3                                                       
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    6                                                       
CONECT   14    5   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   25                                                  
CONECT   17   16   18   24                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   15                                                       
CONECT   21   19   22                                                       
CONECT   22   21                                                            
CONECT   23   18                                                            
CONECT   24   17                                                            
CONECT   25   16                                                            
CONECT   26    4                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    NP0043877
HETATM    1  C1  UNL     1       5.200   1.808   2.421  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.038   1.985   1.677  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.315   0.960   1.092  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.734  -0.326   1.231  1.00  0.00           C  
HETATM    5  C4  UNL     1       3.030  -1.389   0.654  1.00  0.00           C  
HETATM    6  C5  UNL     1       3.483  -2.677   0.816  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.779  -3.710   0.242  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.640  -3.364  -0.472  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.991  -4.291  -0.998  1.00  0.00           O  
HETATM   10  O3  UNL     1       1.254  -2.128  -0.595  1.00  0.00           O  
HETATM   11  C8  UNL     1       1.876  -1.096  -0.076  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.434   0.200  -0.229  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.309   0.455  -0.943  1.00  0.00           O  
HETATM   14  C10 UNL     1      -1.015   0.518  -0.449  1.00  0.00           C  
HETATM   15  O5  UNL     1      -1.640  -0.640  -0.864  1.00  0.00           O  
HETATM   16  C11 UNL     1      -3.016  -0.604  -0.770  1.00  0.00           C  
HETATM   17  C12 UNL     1      -3.546  -1.984  -1.083  1.00  0.00           C  
HETATM   18  O6  UNL     1      -4.937  -1.941  -0.980  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.472   0.362  -1.849  1.00  0.00           C  
HETATM   20  O7  UNL     1      -4.837   0.305  -2.053  1.00  0.00           O  
HETATM   21  C14 UNL     1      -3.065   1.726  -1.332  1.00  0.00           C  
HETATM   22  O8  UNL     1      -3.239   2.695  -2.349  1.00  0.00           O  
HETATM   23  C15 UNL     1      -1.714   1.778  -0.719  1.00  0.00           C  
HETATM   24  O9  UNL     1      -1.787   2.587   0.439  1.00  0.00           O  
HETATM   25  C16 UNL     1       2.155   1.212   0.354  1.00  0.00           C  
HETATM   26  O10 UNL     1       1.791   2.544   0.255  1.00  0.00           O  
HETATM   27  H1  UNL     1       5.940   1.282   1.754  1.00  0.00           H  
HETATM   28  H2  UNL     1       5.074   1.249   3.349  1.00  0.00           H  
HETATM   29  H3  UNL     1       5.649   2.811   2.628  1.00  0.00           H  
HETATM   30  H4  UNL     1       4.636  -0.526   1.804  1.00  0.00           H  
HETATM   31  H5  UNL     1       4.370  -2.876   1.378  1.00  0.00           H  
HETATM   32  H6  UNL     1       3.088  -4.753   0.335  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.913   0.392   0.672  1.00  0.00           H  
HETATM   34  H8  UNL     1      -3.353  -0.274   0.232  1.00  0.00           H  
HETATM   35  H9  UNL     1      -3.185  -2.737  -0.363  1.00  0.00           H  
HETATM   36  H10 UNL     1      -3.216  -2.277  -2.093  1.00  0.00           H  
HETATM   37  H11 UNL     1      -5.232  -1.264  -0.308  1.00  0.00           H  
HETATM   38  H12 UNL     1      -2.899   0.186  -2.782  1.00  0.00           H  
HETATM   39  H13 UNL     1      -5.201   1.128  -2.433  1.00  0.00           H  
HETATM   40  H14 UNL     1      -3.846   1.988  -0.557  1.00  0.00           H  
HETATM   41  H15 UNL     1      -3.708   3.497  -2.005  1.00  0.00           H  
HETATM   42  H16 UNL     1      -1.081   2.388  -1.431  1.00  0.00           H  
HETATM   43  H17 UNL     1      -1.852   2.028   1.253  1.00  0.00           H  
HETATM   44  H18 UNL     1       0.967   2.770  -0.265  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3
CONECT    3    4    4   25
CONECT    4    5   30
CONECT    5    6   11   11
CONECT    6    7    7   31
CONECT    7    8   32
CONECT    8    9    9   10
CONECT   10   11
CONECT   11   12
CONECT   12   13   25   25
CONECT   13   14
CONECT   14   15   23   33
CONECT   15   16
CONECT   16   17   19   34
CONECT   17   18   35   36
CONECT   18   37
CONECT   19   20   21   38
CONECT   20   39
CONECT   21   22   23   40
CONECT   22   41
CONECT   23   24   42
CONECT   24   43
CONECT   25   26
CONECT   26   44
END

NP0043877
     RDKit          3D

44 46  0  0  0  0  0  0  0  0999 V2000
    5.2003    1.8080    2.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383    1.9850    1.6775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    0.9604    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343   -0.3256    1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0304   -1.3890    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4832   -2.6773    0.8159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788   -3.7097    0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399   -3.3635   -0.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -4.2906   -0.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2536   -2.1278   -0.5955 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758   -1.0963   -0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    0.2000   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3094    0.4545   -0.9430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155    0.5185   -0.4485 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6395   -0.6396   -0.8642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0160   -0.6045   -0.7695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5457   -1.9835   -1.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371   -1.9406   -0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4725    0.3616   -1.8490 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8375    0.3047   -2.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    1.7261   -1.3318 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2392    2.6950   -2.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7144    1.7782   -0.7186 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7869    2.5874    0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    1.2118    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912    2.5436    0.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9402    1.2817    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    1.2489    3.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    2.8110    2.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364   -0.5265    1.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699   -2.8757    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0883   -4.7525    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126    0.3922    0.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525   -0.2740    0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1851   -2.7367   -0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159   -2.2768   -2.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2319   -1.2642   -0.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8991    0.1860   -2.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2014    1.1280   -2.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8459    1.9885   -0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7084    3.4967   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810    2.3881   -1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519    2.0282    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665    2.7703   -0.2652 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  2  0
 25 26  1  0
 25  3  1  0
 11  5  2  0
 23 14  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  6 31  1  0
  7 32  1  0
 14 33  1  1
 16 34  1  1
 17 35  1  0
 17 36  1  0
 18 37  1  0
 19 38  1  6
 20 39  1  0
 21 40  1  1
 22 41  1  0
 23 42  1  6
 24 43  1  0
 26 44  1  0
M  END

View in JSmol

Synonyms

Value	Source
8-(beta-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one	ChEBI
Fraxetin-8-beta-D-glucopyranoside	ChEBI
Fraxetin-8-O-beta-D-glucopyranoside	ChEBI
Fraxetin-8-O-beta-D-glucoside	ChEBI
Fraxetin-8-O-glucoside	ChEBI
8-(b-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one	Generator
8-(Β-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one	Generator
Fraxetin-8-b-D-glucopyranoside	Generator
Fraxetin-8-β-D-glucopyranoside	Generator
Fraxetin-8-O-b-D-glucopyranoside	Generator
Fraxetin-8-O-β-D-glucopyranoside	Generator
Fraxetin-8-O-b-D-glucoside	Generator
Fraxetin-8-O-β-D-glucoside	Generator
7,8-Dihydroxy-6-methoxycoumarin-8-beta-D-glucoside	MeSH

Chemical Formula

C₁₆H₁₈O₁₀

Average Mass

370.3100 Da

Monoisotopic Mass

370.09000 Da

IUPAC Name

7-hydroxy-6-methoxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one

Traditional Name

7-hydroxy-6-methoxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one

CAS Registry Number

Not Available

SMILES

COC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2OC(=O)C=CC2=C1

InChI Identifier

InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1

InChI Key

CRSFLLTWRCYNNX-QBNNUVSCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Methanol-d4, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Acer nikoense	KNApSAcK Database	22123792
Actinidia chinensis	LOTUS Database	35616633
Aesculus hippocastanum	KNApSAcK Database	22123792
Aesculus turbinata	LOTUS Database	35616633
Apis cerana	LOTUS Database	35616633
Campanula spp.	KNApSAcK Database	22123792
Chimonanthus fragrans	KNApSAcK Database	22123792
Diervilla spp.	KNApSAcK Database	22123792
Euodia fargesii	LOTUS Database	35616633
Fraxinus angustifolia	LOTUS Database	35616633
Fraxinus bungeana	KNApSAcK Database	22123792
Fraxinus chinensis	LOTUS Database	35616633
Fraxinus excelsior	KNApSAcK Database	22123792
Fraxinus floribunda	LOTUS Database	35616633
Fraxinus japonica Seringe Blume	KNApSAcK Database	22123792
Fraxinus mandshurica	LOTUS Database	35616633
Fraxinus micrantha	LOTUS Database	35616633
Fraxinus ornus	KNApSAcK Database	22123792
Fraxinus pallisae	LOTUS Database	35616633
Fraxinus paxiana	KNApSAcK Database	22123792
Fraxinus potamophila	KNApSAcK Database	22123792
Fraxinus spp.	KNApSAcK Database	22123792
Fraxinus stylosa	KNApSAcK Database	22123792
Fraxinus szaboana	KNApSAcK Database	22123792
Lupinus angustifolius	LOTUS Database	35616633
Pileostegia viburnoides var. glabrescens	KNApSAcK Database	22123792
Prunus prostrata	LOTUS Database	35616633
Rhododendron groenlandicum	LOTUS Database	35616633
Sarcandra glabra	LOTUS Database	35616633
Symphoricarpos spp.	KNApSAcK Database	22123792
Tilia spp.	KNApSAcK Database	22123792
Weigela subsessilis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Coumarin glycosides

Direct Parent

Coumarin glycosides

Alternative Parents

Substituents

Coumarin o-glycoside
Coumarin-8-o-glycoside
Phenolic glycoside
7-hydroxycoumarin
Hexose monosaccharide
Hydroxycoumarin
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Anisole
Alkyl aryl ether
Pyranone
Benzenoid
Pyran
Monosaccharide
Oxane
Heteroaromatic compound
Lactone
Secondary alcohol
Acetal
Ether
Organoheterocyclic compound
Oxacycle
Polyol
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	722.20 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	191200 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-1.930 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	-0.66	ALOGPS
logP	-1.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	7.62	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	84.12 m³·mol⁻¹	ChemAxon
Polarizability	33.99 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00002474

Chemspider ID

4437971

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Fraxin

METLIN ID

Not Available

PubChem Compound

5273568

PDB ID

Not Available

ChEBI ID

5170

Good Scents ID

rw1700691

References

General References

Poukens-Renwart P, Tits M, Wauters JN, Angenot L: Reversed-phase HPTLC densitometric evaluation of fraxin in Fraxinus excelsior leaves. J Pharm Biomed Anal. 1992 Oct-Dec;10(10-12):1089-91. doi: 10.1016/0731-7085(91)80126-t. [PubMed:1298368 ]
Wang H, Xiao B, Hao Z, Sun Z: Simultaneous determination of fraxin and its metabolite, fraxetin, in rat plasma by liquid chromatography-tandem mass spectrometry and its application in a pharmacokinetic study. J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Apr 1;1017-1018:70-74. doi: 10.1016/j.jchromb.2016.02.030. Epub 2016 Feb 23. [PubMed:26945887 ]
Chang BY, Jung YS, Yoon CS, Oh JS, Hong JH, Kim YC, Kim SY: Fraxin Prevents Chemically Induced Hepatotoxicity by Reducing Oxidative Stress. Molecules. 2017 Apr 6;22(4). pii: molecules22040587. doi: 10.3390/molecules22040587. [PubMed:28383514 ]
Niu X, Liu F, Li W, Zhi W, Yao Q, Zhao J, Yang G, Wang X, Qin L, He Z: Hepatoprotective effect of fraxin against carbon tetrachloride-induced hepatotoxicity in vitro and in vivo through regulating hepatic antioxidant, inflammation response and the MAPK-NF-kappaB signaling pathway. Biomed Pharmacother. 2017 Nov;95:1091-1102. doi: 10.1016/j.biopha.2017.09.029. Epub 2017 Sep 14. [PubMed:28922728 ]
Owczarek A, Klys A, Olszewska MA: A validated (1)H qNMR method for direct and simultaneous quantification of esculin, fraxin and (-)-epicatechin in Hippocastani cortex. Talanta. 2019 Jan 15;192:263-269. doi: 10.1016/j.talanta.2018.09.036. Epub 2018 Sep 15. [PubMed:30348388 ]
Aleksandra Owczarek, Arkadiusz Kłys, Monika A.Olszewska (2019). Aleksandra Owczarek, Arkadiusz Kłys, Monika A.Olszewska A validated 1H qNMR method for direct and simultaneous quantification of esculin, fraxin and (–)-epicatechin in Hippocastani cortex. Talanta Volume 192, 15 January 2019, Pages 263-269. DOI: 10.1016/j.talanta.2018.09.036. Talanta.

Showing NP-Card for Fraxin (NP0043877)

MOL for NP0043877 (Fraxin)

3D MOL for NP0043877 (Fraxin)

3D SDF for NP0043877 (Fraxin)

3D-SDF for NP0043877 (Fraxin)

PDB for NP0043877 (Fraxin)

3D PDB for NP0043877 (Fraxin)

SMILES for NP0043877 (Fraxin)

INCHI for NP0043877 (Fraxin)

Structure for NP0043877 (Fraxin)

3D Structure for NP0043877 (Fraxin)