NP-MRD: Showing NP-Card for Sanguiin H9 (NP0334022)

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Record Information

Version

2.0

Created at

2024-09-09 21:42:56 UTC

Updated at

2024-09-09 21:42:56 UTC

NP-MRD ID

NP0334022

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Sanguiin H9

Description

Ellagitannin derived from Sanguisorba officinalis (burnet bloodwort). Sanguiin H9 is found in tea and herbs and spices.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305221920392D          

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M  END


  Mrv1652305221920392D          

100109  0  0  1  0            999 V2000
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 54100  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0334022

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OC(=O)C1=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C4=C3C(=O)O[C@]3([H])[C@@]([H])(COC(=O)C5=CC(O)=C(O)C(O)=C45)O[C@]([H])(OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@]([H])(O)[C@@]3([H])O)=C1)O2

> <INCHI_IDENTIFIER>
InChI=1S/C54H42O36/c55-15-1-10(2-16(56)29(15)61)47(76)89-53-43(75)41(73)45-23(86-53)9-83-50(79)13-6-19(59)33(65)36(68)26(13)27-28(52(81)88-45)46(39(71)38(70)37(27)69)84-21-4-11(3-17(57)30(21)62)48(77)90-54-42(74)40(72)44-22(85-54)8-82-49(78)12-5-18(58)31(63)34(66)24(12)25-14(51(80)87-44)7-20(60)32(64)35(25)67/h1-7,22-23,40-45,53-75H,8-9H2/t22-,23-,40-,41-,42-,43-,44-,45-,53-,54+/m1/s1

> <INCHI_KEY>
XGOZWETVQMZWLO-WHCBAISCSA-N

> <FORMULA>
C54H42O36

> <MOLECULAR_WEIGHT>
1266.8897

> <EXACT_MASS>
1266.145577736

> <JCHEM_ACCEPTOR_COUNT>
29

> <JCHEM_ATOM_COUNT>
132

> <JCHEM_AVERAGE_POLARIZABILITY>
113.42109545871672

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
21

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10S,11R,12R,13R,15R)-6-[2,3-dihydroxy-5-({[(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy}carbonyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2(7),3,5,19,21-hexaen-13-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
3.20

> <JCHEM_LOGP>
2.0211106466666666

> <ALOGPS_LOGS>
-2.70

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
7.2789530005577

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.134461142739463

> <JCHEM_PKA_STRONGEST_BASIC>
-6.173405219027097

> <JCHEM_POLAR_SURFACE_AREA>
610.3200000000003

> <JCHEM_REFRACTIVITY>
282.79329999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.51e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(10S,11R,12R,13R,15R)-6-[2,3-dihydroxy-5-({[(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy}carbonyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2(7),3,5,19,21-hexaen-13-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0      -3.863   0.979   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.214   3.076   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.662 -13.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.885 -10.629   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.913 -23.380   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.591  -1.304   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.411 -18.189   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.571 -18.761   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.417  -1.092   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.433   1.552   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.958 -12.167   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.276 -21.883   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.381  -2.256   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.982 -18.761   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.074   1.931   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.425   4.028   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.294 -12.294   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.028 -24.443   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.021  -1.877   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.622 -19.141   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.516  -9.923   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.211 -17.360   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.409  -2.256   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.754 -21.449   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.762 -20.286   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.600  -3.781   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.960  -5.181   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.665  -6.014   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.854   3.456   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.220 -10.756   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.505 -24.009   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      17.403 -20.665   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.240  -3.401   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.869 -22.512   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      15.973 -21.238   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.030  -4.353   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.329  -5.887   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.402  -7.425   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.107  -8.258   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.433 -14.990   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.760  -4.353   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.064 -14.284   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.451  -3.401   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      11.506 -16.528   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.189  -3.781   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       5.738  -7.552   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -1.223   0.600   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       7.327 -12.873   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      10.799 -21.449   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       6.372  -1.092   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      14.342 -17.360   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       4.125  -6.014   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -0.232  -1.877   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       8.769 -15.117   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -6.503   1.359   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0      -3.206   5.552   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0       1.998 -13.126   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      12.665 -25.939   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      11.232  -0.925   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      19.052 -18.569   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      -6.065   4.408   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0       1.851 -10.050   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      15.620 -25.072   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      18.613 -21.617   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      11.670  -3.973   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      16.346 -22.078   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      15.754 -22.762   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0       9.249  -5.877   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0       9.764  -6.446   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0       9.771  -8.131   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0       7.180  -9.796   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0      12.729 -14.157   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0       0.541  -5.877   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0       9.991 -12.746   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      -1.880  -3.973   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0       0.207   1.172   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0       8.622 -12.040   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0       9.966 -22.745   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0       7.205   0.203   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0      15.506 -16.352   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0       3.691  -7.492   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0       9.790 -20.286   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0       4.895  -0.658   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0       4.443  -8.385   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0       8.842 -16.655   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0       1.198  -1.304   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0      13.046 -16.528   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0       2.829  -5.181   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0      -1.442  -0.925   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0       7.400 -14.411   0.000  0.00  0.00           O+0
HETATM   91  H   UNK     0      11.375 -18.369   0.000  0.00  0.00           H+0
HETATM   92  H   UNK     0       3.809  -2.896   0.000  0.00  0.00           H+0
HETATM   93  H   UNK     0      12.802 -15.695   0.000  0.00  0.00           H+0
HETATM   94  H   UNK     0       1.970  -5.305   0.000  0.00  0.00           H+0
HETATM   95  H   UNK     0      11.360 -13.451   0.000  0.00  0.00           H+0
HETATM   96  H   UNK     0      -0.670  -4.925   0.000  0.00  0.00           H+0
HETATM   97  H   UNK     0      11.940 -18.006   0.000  0.00  0.00           H+0
HETATM   98  H   UNK     0       3.714  -3.561   0.000  0.00  0.00           H+0
HETATM   99  H   UNK     0      -1.661  -2.449   0.000  0.00  0.00           H+0
HETATM  100  H   UNK     0       8.695 -13.578   0.000  0.00  0.00           H+0
CONECT    1   10   15                                                       
CONECT    2   10   16                                                       
CONECT    3   11   17                                                       
CONECT    4   11   21                                                       
CONECT    5   12   18                                                       
CONECT    6   13   19                                                       
CONECT    7   14   20                                                       
CONECT    8   22   82                                                       
CONECT    9   23   83                                                       
CONECT   10    1    2   47                                                  
CONECT   11    3    4   48                                                  
CONECT   12    5   24   49                                                  
CONECT   13    6   26   50                                                  
CONECT   14    7   25   51                                                  
CONECT   15    1   29   55                                                  
CONECT   16    2   29   56                                                  
CONECT   17    3   30   57                                                  
CONECT   18    5   31   58                                                  
CONECT   19    6   33   59                                                  
CONECT   20    7   32   60                                                  
CONECT   21    4   30   84                                                  
CONECT   22    8   44   85   91                                             
CONECT   23    9   45   86   92                                             
CONECT   24   12   25   34                                                  
CONECT   25   14   24   35                                                  
CONECT   26   13   27   36                                                  
CONECT   27   26   28   37                                                  
CONECT   28   27   46   52                                                  
CONECT   29   15   16   61                                                  
CONECT   30   17   21   62                                                  
CONECT   31   18   34   63                                                  
CONECT   32   20   35   64                                                  
CONECT   33   19   36   65                                                  
CONECT   34   24   31   66                                                  
CONECT   35   25   32   67                                                  
CONECT   36   26   33   68                                                  
CONECT   37   27   38   69                                                  
CONECT   38   37   39   70                                                  
CONECT   39   38   46   71                                                  
CONECT   40   42   44   72   93                                             
CONECT   41   43   45   73   94                                             
CONECT   42   40   54   74   95                                             
CONECT   43   41   53   75   96                                             
CONECT   44   22   40   87   97                                             
CONECT   45   23   41   88   98                                             
CONECT   46   28   39   84                                                  
CONECT   47   10   76   89                                                  
CONECT   48   11   77   90                                                  
CONECT   49   12   78   82                                                  
CONECT   50   13   79   83                                                  
CONECT   51   14   80   87                                                  
CONECT   52   28   81   88                                                  
CONECT   53   43   86   89   99                                             
CONECT   54   42   85   90  100                                             
CONECT   55   15                                                            
CONECT   56   16                                                            
CONECT   57   17                                                            
CONECT   58   18                                                            
CONECT   59   19                                                            
CONECT   60   20                                                            
CONECT   61   29                                                            
CONECT   62   30                                                            
CONECT   63   31                                                            
CONECT   64   32                                                            
CONECT   65   33                                                            
CONECT   66   34                                                            
CONECT   67   35                                                            
CONECT   68   36                                                            
CONECT   69   37                                                            
CONECT   70   38                                                            
CONECT   71   39                                                            
CONECT   72   40                                                            
CONECT   73   41                                                            
CONECT   74   42                                                            
CONECT   75   43                                                            
CONECT   76   47                                                            
CONECT   77   48                                                            
CONECT   78   49                                                            
CONECT   79   50                                                            
CONECT   80   51                                                            
CONECT   81   52                                                            
CONECT   82    8   49                                                       
CONECT   83    9   50                                                       
CONECT   84   21   46                                                       
CONECT   85   22   54                                                       
CONECT   86   23   53                                                       
CONECT   87   44   51                                                       
CONECT   88   45   52                                                       
CONECT   89   47   53                                                       
CONECT   90   48   54                                                       
CONECT   91   22                                                            
CONECT   92   23                                                            
CONECT   93   40                                                            
CONECT   94   41                                                            
CONECT   95   42                                                            
CONECT   96   43                                                            
CONECT   97   44                                                            
CONECT   98   45                                                            
CONECT   99   53                                                            
CONECT  100   54                                                            
MASTER        0    0    0    0    0    0    0    0  100    0  218    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₄H₄₂O₃₆

Average Mass

1266.8897 Da

Monoisotopic Mass

1266.14558 Da

IUPAC Name

(10S,11R,12R,13R,15R)-6-[2,3-dihydroxy-5-({[(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy}carbonyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2(7),3,5,19,21-hexaen-13-yl 3,4,5-trihydroxybenzoate

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]12COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OC(=O)C1=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C4=C3C(=O)O[C@]3([H])[C@@]([H])(COC(=O)C5=CC(O)=C(O)C(O)=C45)O[C@]([H])(OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@]([H])(O)[C@@]3([H])O)=C1)O2

InChI Identifier

InChI=1S/C54H42O36/c55-15-1-10(2-16(56)29(15)61)47(76)89-53-43(75)41(73)45-23(86-53)9-83-50(79)13-6-19(59)33(65)36(68)26(13)27-28(52(81)88-45)46(39(71)38(70)37(27)69)84-21-4-11(3-17(57)30(21)62)48(77)90-54-42(74)40(72)44-22(85-54)8-82-49(78)12-5-18(58)31(63)34(66)24(12)25-14(51(80)87-44)7-20(60)32(64)35(25)67/h1-7,22-23,40-45,53-75H,8-9H2/t22-,23-,40-,41-,42-,43-,44-,45-,53-,54+/m1/s1

InChI Key

XGOZWETVQMZWLO-WHCBAISCSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group).

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

9,9'-epoxylignans

Alternative Parents

Substituents

9,9p-epoxylignan
Cinnamic acid or derivatives
Coumaric acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Methoxyphenol
Phenol ester
Anisole
Phenoxy compound
Phenol ether
Styrene
Methoxybenzene
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Dialkyl ether
Ether
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

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	3.2	ALOGPS
logP	2.02	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	6.13	ChemAxon
pKa (Strongest Basic)	-6.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	29	ChemAxon
Hydrogen Donor Count	21	ChemAxon
Polar Surface Area	610.32 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	282.79 m³·mol⁻¹	ChemAxon
Polarizability	113.42 Å³	ChemAxon
Number of Rings	10	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB018798

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Sanguiin H9 (NP0334022)

MOL for NP0334022 (Sanguiin H9)

3D MOL for NP0334022 (Sanguiin H9)

3D SDF for NP0334022 (Sanguiin H9)

3D-SDF for NP0334022 (Sanguiin H9)

PDB for NP0334022 (Sanguiin H9)

3D PDB for NP0334022 (Sanguiin H9)

SMILES for NP0334022 (Sanguiin H9)

INCHI for NP0334022 (Sanguiin H9)

Structure for NP0334022 (Sanguiin H9)

3D Structure for NP0334022 (Sanguiin H9)