NP-MRD: Showing NP-Card for Lablaboside E (NP0335336)

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Record Information

Version

2.0

Created at

2024-09-11 01:08:25 UTC

Updated at

2024-09-11 01:08:25 UTC

NP-MRD ID

NP0335336

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lablaboside E

Description

Lablaboside E was first documented in 2014 (PMID: 24176342). Based on a literature review very few articles have been published on Lablaboside E.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262303402D          

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  Mrv2104 05262303402D          

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    0.9059    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2184    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8066    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2816    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3934    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559   -3.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184   -2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6316    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4559    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3934    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0335336

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C66H106O32/c1-24-34(70)38(74)45(81)54(87-24)93-48-26(3)89-56(47(83)44(48)80)96-51-41(77)37(73)30(22-68)91-58(51)98-60(86)66-18-16-61(4,5)20-28(66)27-10-11-32-62(6)14-13-33(63(7,23-69)31(62)12-15-65(32,9)64(27,8)17-19-66)92-59-52(43(79)42(78)49(94-59)53(84)85)97-57-50(40(76)36(72)29(21-67)90-57)95-55-46(82)39(75)35(71)25(2)88-55/h10,24-26,28-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)

> <INCHI_KEY>
SHUUAUOAWODYLP-UHFFFAOYNA-N

> <FORMULA>
C66H106O32

> <MOLECULAR_WEIGHT>
1411.542

> <EXACT_MASS>
1410.666721253

> <JCHEM_ACCEPTOR_COUNT>
31

> <JCHEM_ATOM_COUNT>
204

> <JCHEM_AVERAGE_POLARIZABILITY>
143.88159475816815

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
18

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

> <JCHEM_LOGP>
-2.3471796070000046

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.809296603922462

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3178957719010813

> <JCHEM_PKA_STRONGEST_BASIC>
-3.68590935568449

> <JCHEM_POLAR_SURFACE_AREA>
509.04000000000025

> <JCHEM_REFRACTIVITY>
325.13319999999965

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -6.779   8.772   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      25.561   6.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.239   6.105   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.499  -2.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.784  -1.090   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.931  -0.564   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.744   3.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.552   3.635   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.851  -0.564   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.391  -0.564   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.701   3.437   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.011  -0.564   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.471  -0.564   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.161   3.437   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.461   0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.081   3.437   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.231   2.104   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.541   3.437   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.771  -0.564   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.021  -1.897   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.461   8.772   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.458   2.630   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -7.549   7.438   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      24.021   6.105   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.469   4.771   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.081   0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.541   0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      23.251  -0.564   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.691   7.438   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.471   2.104   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.161   0.770   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      14.781   0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -9.089   7.438   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      23.251   7.438   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      24.021   0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.151   7.438   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -9.859   6.105   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      21.711   7.438   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      23.251   2.104   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.619   6.105   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      18.631  -3.231   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      19.401  -1.897   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -4.469   2.104   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -9.089   4.771   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      20.941   6.105   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -2.929   2.104   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -5.239   3.437   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      17.091  -3.231   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      21.711   2.104   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       0.151   4.771   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      18.631  -0.564   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      16.321  -4.565   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -7.549   4.771   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      21.711   4.771   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -2.159   3.437   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      20.941   0.770   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       1.691   4.771   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      17.091  -0.564   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       4.001   3.437   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       3.231  -0.564   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      11.701   0.770   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      14.011   2.104   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       7.851   2.104   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       9.391   2.104   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0       4.771   2.104   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      23.251  -3.231   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0       1.691  10.106   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0      15.726   4.147   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      -9.859   8.772   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      24.021   8.772   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0      25.561   0.770   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0      -0.619   8.772   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0     -11.399   6.105   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      20.941   8.772   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0      24.021   3.437   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0      -2.159   6.105   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0      19.401  -4.565   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0      20.941  -1.897   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0      -5.239   0.770   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0      -9.859   3.437   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      19.401   6.105   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0      -2.159   0.770   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0      17.091  -5.898   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0      14.781  -4.565   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0       4.771   4.771   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0      -6.779   6.105   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0      23.251   4.771   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0      -2.929   4.771   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0      21.711  -0.564   0.000  0.00  0.00           O+0
HETATM   91  O   UNK     0       2.461   6.105   0.000  0.00  0.00           O+0
HETATM   92  O   UNK     0      16.321   0.770   0.000  0.00  0.00           O+0
HETATM   93  O   UNK     0      -6.779   3.437   0.000  0.00  0.00           O+0
HETATM   94  O   UNK     0      16.321  -1.897   0.000  0.00  0.00           O+0
HETATM   95  O   UNK     0      20.941   3.437   0.000  0.00  0.00           O+0
HETATM   96  O   UNK     0      -0.619   3.437   0.000  0.00  0.00           O+0
HETATM   97  O   UNK     0      19.401   0.770   0.000  0.00  0.00           O+0
HETATM   98  O   UNK     0       2.461   3.437   0.000  0.00  0.00           O+0
CONECT    1   24                                                            
CONECT    2   25                                                            
CONECT    3   26                                                            
CONECT    4   61                                                            
CONECT    5   61                                                            
CONECT    6   62                                                            
CONECT    7   63                                                            
CONECT    8   64                                                            
CONECT    9   65                                                            
CONECT   10   11   27                                                       
CONECT   11   10   32                                                       
CONECT   12   15   31                                                       
CONECT   13   14   33                                                       
CONECT   14   13   62                                                       
CONECT   15   12   65                                                       
CONECT   16   18   61                                                       
CONECT   17   19   64                                                       
CONECT   18   16   66                                                       
CONECT   19   17   66                                                       
CONECT   20   28   61                                                       
CONECT   21   29   67                                                       
CONECT   22   30   68                                                       
CONECT   23   63   69                                                       
CONECT   24    1   34   87                                                  
CONECT   25    2   35   88                                                  
CONECT   26    3   48   89                                                  
CONECT   27   10   28   64                                                  
CONECT   28   20   27   66                                                  
CONECT   29   21   36   90                                                  
CONECT   30   22   37   91                                                  
CONECT   31   12   62   63                                                  
CONECT   32   11   62   65                                                  
CONECT   33   13   63   92                                                  
CONECT   34   24   38   70                                                  
CONECT   35   25   39   71                                                  
CONECT   36   29   40   72                                                  
CONECT   37   30   41   73                                                  
CONECT   38   34   45   74                                                  
CONECT   39   35   46   75                                                  
CONECT   40   36   50   76                                                  
CONECT   41   37   51   77                                                  
CONECT   42   43   49   78                                                  
CONECT   43   42   52   79                                                  
CONECT   44   47   48   80                                                  
CONECT   45   38   54   81                                                  
CONECT   46   39   55   82                                                  
CONECT   47   44   56   83                                                  
CONECT   48   26   44   93                                                  
CONECT   49   42   53   94                                                  
CONECT   50   40   57   95                                                  
CONECT   51   41   58   96                                                  
CONECT   52   43   59   97                                                  
CONECT   53   49   84   85                                                  
CONECT   54   45   87   93                                                  
CONECT   55   46   88   95                                                  
CONECT   56   47   89   96                                                  
CONECT   57   50   90   97                                                  
CONECT   58   51   91   98                                                  
CONECT   59   52   92   94                                                  
CONECT   60   66   86   98                                                  
CONECT   61    4    5   16   20                                             
CONECT   62    6   14   31   32                                             
CONECT   63    7   23   31   33                                             
CONECT   64    8   17   27   65                                             
CONECT   65    9   15   32   64                                             
CONECT   66   18   19   28   60                                             
CONECT   67   21                                                            
CONECT   68   22                                                            
CONECT   69   23                                                            
CONECT   70   34                                                            
CONECT   71   35                                                            
CONECT   72   36                                                            
CONECT   73   37                                                            
CONECT   74   38                                                            
CONECT   75   39                                                            
CONECT   76   40                                                            
CONECT   77   41                                                            
CONECT   78   42                                                            
CONECT   79   43                                                            
CONECT   80   44                                                            
CONECT   81   45                                                            
CONECT   82   46                                                            
CONECT   83   47                                                            
CONECT   84   53                                                            
CONECT   85   53                                                            
CONECT   86   60                                                            
CONECT   87   24   54                                                       
CONECT   88   25   55                                                       
CONECT   89   26   56                                                       
CONECT   90   29   57                                                       
CONECT   91   30   58                                                       
CONECT   92   33   59                                                       
CONECT   93   48   54                                                       
CONECT   94   49   59                                                       
CONECT   95   50   55                                                       
CONECT   96   51   56                                                       
CONECT   97   52   57                                                       
CONECT   98   58   60                                                       
MASTER        0    0    0    0    0    0    0    0   98    0  216    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₆H₁₀₆O₃₂

Average Mass

1411.5420 Da

Monoisotopic Mass

1410.66672 Da

IUPAC Name

6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Traditional Name

6-{[8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC1OC(OC2C(C)OC(OC3C(O)C(O)C(CO)OC3OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)=O)C(C)(CO)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1/C66H106O32/c1-24-34(70)38(74)45(81)54(87-24)93-48-26(3)89-56(47(83)44(48)80)96-51-41(77)37(73)30(22-68)91-58(51)98-60(86)66-18-16-61(4,5)20-28(66)27-10-11-32-62(6)14-13-33(63(7,23-69)31(62)12-15-65(32,9)64(27,8)17-19-66)92-59-52(43(79)42(78)49(94-59)53(84)85)97-57-50(40(76)36(72)29(21-67)90-57)95-55-46(82)39(75)35(71)25(2)88-55/h10,24-26,28-52,54-59,67-83H,11-23H2,1-9H3,(H,84,85)

InChI Key

SHUUAUOAWODYLP-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	-2.3	ChemAxon
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	31	ChemAxon
Hydrogen Donor Count	18	ChemAxon
Polar Surface Area	509.04 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	325.13 m³·mol⁻¹	ChemAxon
Polarizability	143.88 Å³	ChemAxon
Number of Rings	11	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

Not Available

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

Ha TJ, Lee BW, Park KH, Jeong SH, Kim HT, Ko JM, Baek IY, Lee JH: Rapid characterisation and comparison of saponin profiles in the seeds of Korean Leguminous species using ultra performance liquid chromatography with photodiode array detector and electrospray ionisation/mass spectrometry (UPLC-PDA-ESI/MS) analysis. Food Chem. 2014 Mar 1;146:270-7. doi: 10.1016/j.foodchem.2013.09.051. Epub 2013 Sep 18. [PubMed:24176342 ]

Showing NP-Card for Lablaboside E (NP0335336)

MOL for NP0335336 (Lablaboside E)

3D MOL for NP0335336 (Lablaboside E)

3D SDF for NP0335336 (Lablaboside E)

3D-SDF for NP0335336 (Lablaboside E)

PDB for NP0335336 (Lablaboside E)

3D PDB for NP0335336 (Lablaboside E)

SMILES for NP0335336 (Lablaboside E)

INCHI for NP0335336 (Lablaboside E)

Structure for NP0335336 (Lablaboside E)

3D Structure for NP0335336 (Lablaboside E)