NP-MRD: Showing NP-Card for marinoid C (NP0037455)

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Record Information

Version

2.0

Created at

2021-06-20 20:22:33 UTC

Updated at

2021-06-30 00:09:40 UTC

NP-MRD ID

NP0037455

Secondary Accession Numbers

None

Natural Product Identification

Common Name

marinoid C

Provided By

JEOL Database JEOL Logo

Description

marinoid C is found in Avicenniamarina. marinoid C was first documented in 2008 (Sun, Y., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202122223D          

 67 70  0  0  0  0            999 V2000
    2.9777   -3.0887    1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706   -3.3495   -0.0846 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9652   -2.3845   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708   -4.7301   -0.3880 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0366   -5.1147   -1.7201 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5805   -4.7057   -1.5081 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7279   -4.6636   -2.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4520   -5.9448   -3.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946   -7.0430   -3.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2227   -5.8074   -4.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405   -3.5267   -3.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -2.2980   -2.5547 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -2.1803   -1.7598 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.8222    0.1605   -1.6870 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4976    1.2004   -3.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  4  2  1  0  0  0  0
  2 37  1  0  0  0  0
 26 25  1  0  0  0  0
  7  8  1  0  0  0  0
 30 31  2  0  0  0  0
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  8  9  2  0  0  0  0
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  2  1  1  0  0  0  0
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M  END

     RDKit          3D

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652306202122223D          

 67 70  0  0  0  0            999 V2000
    2.9777   -3.0887    1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706   -3.3495   -0.0846 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9652   -2.3845   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708   -4.7301   -0.3880 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0366   -5.1147   -1.7201 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5805   -4.7057   -1.5081 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7279   -4.6636   -2.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4520   -5.9448   -3.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4976    1.2004   -3.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6844    1.2226   -1.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4718    1.4699    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7374    0.6040    1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0037455

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C1=C([H])O[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@@]2([H])[C@]1([H])C([H])([H])C([H])([H])[C@]2(O[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C25H30O12/c1-25(33)9-8-14-15(22(31)32)11-34-23(18(14)25)37-24-21(20(30)19(29)16(10-26)35-24)36-17(28)7-4-12-2-5-13(27)6-3-12/h2-7,11,14,16,18-21,23-24,26-27,29-30,33H,8-10H2,1H3,(H,31,32)/b7-4+/t14-,16-,18-,19-,20+,21-,23+,24+,25-/m1/s1

> <INCHI_KEY>
LWORTIDRRYUBBP-KGLXQJFJSA-N

> <FORMULA>
C25H30O12

> <MOLECULAR_WEIGHT>
522.503

> <EXACT_MASS>
522.173726406

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
52.29535202283817

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4aS,7R,7aS)-1-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

> <ALOGPS_LOGP>
0.38

> <JCHEM_LOGP>
0.6906355356666665

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.398348698218637

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.21711191242877

> <JCHEM_PKA_STRONGEST_BASIC>
-2.969944072569163

> <JCHEM_POLAR_SURFACE_AREA>
192.44

> <JCHEM_REFRACTIVITY>
124.05970000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4aS,7R,7aS)-1-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-7-hydroxy-7-methyl-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 67 70  0  0  0  0  0  0  0  0999 V2000
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  4 43  1  0
 10 47  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  3 41  1  0
 15 50  1  6
 20 55  1  1
 21 56  1  0
 22 57  1  6
 23 58  1  0
 24 59  1  1
 18 52  1  0
 18 53  1  0
 17 51  1  6
 19 54  1  0
 34 64  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       2.978  -3.089   1.415  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.071  -3.349  -0.085  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.965  -2.385  -0.647  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.671  -4.730  -0.388  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.037  -5.115  -1.720  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.581  -4.706  -1.508  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.728  -4.664  -2.739  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.452  -5.945  -3.421  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.795  -7.043  -3.021  0.00  0.00           O+0
HETATM   10  O   UNK     0      -0.223  -5.807  -4.574  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.141  -3.527  -3.139  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.304  -2.298  -2.555  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.492  -2.180  -1.760  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.401  -0.991  -0.969  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.822   0.161  -1.687  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.247   0.202  -1.612  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.801   1.302  -2.354  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.326   1.174  -2.288  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.724  -0.093  -2.817  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.315   2.630  -1.765  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.785   3.737  -2.535  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.782   2.658  -1.735  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.368   3.861  -1.066  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.218   1.418  -1.034  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.218   1.431  -1.214  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.940   0.891  -0.199  0.00  0.00           C+0
HETATM   27  O   UNK     0      -0.519   0.528   0.885  0.00  0.00           O+0
HETATM   28  C   UNK     0      -2.351   0.836  -0.630  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.285   0.357   0.206  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.712   0.269  -0.128  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.657   0.505   0.881  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.027   0.409   0.614  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.450   0.064  -0.664  0.00  0.00           C+0
HETATM   34  O   UNK     0      -8.774  -0.042  -0.971  0.00  0.00           O+0
HETATM   35  C   UNK     0      -6.530  -0.190  -1.673  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.162  -0.094  -1.405  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.680  -3.347  -0.785  0.00  0.00           C+0
HETATM   38  H   UNK     0       2.343  -3.827   1.917  0.00  0.00           H+0
HETATM   39  H   UNK     0       2.567  -2.092   1.611  0.00  0.00           H+0
HETATM   40  H   UNK     0       3.971  -3.115   1.876  0.00  0.00           H+0
HETATM   41  H   UNK     0       3.622  -1.494  -0.426  0.00  0.00           H+0
HETATM   42  H   UNK     0       4.763  -4.716  -0.463  0.00  0.00           H+0
HETATM   43  H   UNK     0       3.384  -5.464   0.375  0.00  0.00           H+0
HETATM   44  H   UNK     0       3.496  -4.559  -2.547  0.00  0.00           H+0
HETATM   45  H   UNK     0       3.150  -6.184  -1.922  0.00  0.00           H+0
HETATM   46  H   UNK     0       1.126  -5.420  -0.805  0.00  0.00           H+0
HETATM   47  H   UNK     0      -0.315  -6.727  -4.900  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.572  -3.459  -3.953  0.00  0.00           H+0
HETATM   49  H   UNK     0       2.344  -2.118  -2.452  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.492   0.088  -2.733  0.00  0.00           H+0
HETATM   51  H   UNK     0       3.498   1.200  -3.404  0.00  0.00           H+0
HETATM   52  H   UNK     0       5.684   1.223  -1.254  0.00  0.00           H+0
HETATM   53  H   UNK     0       5.820   1.957  -2.871  0.00  0.00           H+0
HETATM   54  H   UNK     0       5.253  -0.770  -2.291  0.00  0.00           H+0
HETATM   55  H   UNK     0       3.697   2.757  -0.744  0.00  0.00           H+0
HETATM   56  H   UNK     0       3.323   4.521  -2.173  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.386   2.738  -2.755  0.00  0.00           H+0
HETATM   58  H   UNK     0       0.398   3.813  -0.971  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.472   1.470   0.033  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.583   1.198  -1.623  0.00  0.00           H+0
HETATM   61  H   UNK     0      -3.008   0.023   1.205  0.00  0.00           H+0
HETATM   62  H   UNK     0      -5.335   0.774   1.885  0.00  0.00           H+0
HETATM   63  H   UNK     0      -7.737   0.604   1.410  0.00  0.00           H+0
HETATM   64  H   UNK     0      -9.294   0.151  -0.174  0.00  0.00           H+0
HETATM   65  H   UNK     0      -6.875  -0.471  -2.664  0.00  0.00           H+0
HETATM   66  H   UNK     0      -4.459  -0.320  -2.202  0.00  0.00           H+0
HETATM   67  H   UNK     0       0.877  -3.311  -0.035  0.00  0.00           H+0
CONECT    1    2   38   39   40                                             
CONECT    2    4   37    1    3                                             
CONECT    3    2   41                                                       
CONECT    4    5    2   42   43                                             
CONECT    5    4    6   44   45                                             
CONECT    6    7   37   46    5                                             
CONECT    7    8    6   11                                                  
CONECT    8    7   10    9                                                  
CONECT    9    8                                                            
CONECT   10    8   47                                                       
CONECT   11   12    7   48                                                  
CONECT   12   13   11                                                       
CONECT   13   14   37   12   49                                             
CONECT   14   13   15                                                       
CONECT   15   24   16   14   50                                             
CONECT   16   17   15                                                       
CONECT   17   20   16   18   51                                             
CONECT   18   19   17   52   53                                             
CONECT   19   18   54                                                       
CONECT   20   22   17   21   55                                             
CONECT   21   20   56                                                       
CONECT   22   24   20   23   57                                             
CONECT   23   22   58                                                       
CONECT   24   15   22   25   59                                             
CONECT   25   26   24                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   29   26   60                                                  
CONECT   29   30   28   61                                                  
CONECT   30   31   36   29                                                  
CONECT   31   30   32   62                                                  
CONECT   32   31   33   63                                                  
CONECT   33   35   32   34                                                  
CONECT   34   33   64                                                       
CONECT   35   33   36   65                                                  
CONECT   36   35   30   66                                                  
CONECT   37    2   67   13    6                                             
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    3                                                            
CONECT   42    4                                                            
CONECT   43    4                                                            
CONECT   44    5                                                            
CONECT   45    5                                                            
CONECT   46    6                                                            
CONECT   47   10                                                            
CONECT   48   11                                                            
CONECT   49   13                                                            
CONECT   50   15                                                            
CONECT   51   17                                                            
CONECT   52   18                                                            
CONECT   53   18                                                            
CONECT   54   19                                                            
CONECT   55   20                                                            
CONECT   56   21                                                            
CONECT   57   22                                                            
CONECT   58   23                                                            
CONECT   59   24                                                            
CONECT   60   28                                                            
CONECT   61   29                                                            
CONECT   62   31                                                            
CONECT   63   32                                                            
CONECT   64   34                                                            
CONECT   65   35                                                            
CONECT   66   36                                                            
CONECT   67   37                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  140    0
END

RDKit          3D

67 70  0  0  0  0  0  0  0  0999 V2000
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 34 64  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₀O₁₂

Average Mass

522.5030 Da

Monoisotopic Mass

522.17373 Da

IUPAC Name

(1S,4aS,7R,7aS)-1-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-7-hydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]OC(=O)C1=C([H])O[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])OC(=O)C(\[H])=C(/[H])C2=C([H])C([H])=C(O[H])C([H])=C2[H])[C@@]2([H])[C@]1([H])C([H])([H])C([H])([H])[C@]2(O[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C25H30O12/c1-25(33)9-8-14-15(22(31)32)11-34-23(18(14)25)37-24-21(20(30)19(29)16(10-26)35-24)36-17(28)7-4-12-2-5-13(27)6-3-12/h2-7,11,14,16,18-21,23-24,26-27,29-30,33H,8-10H2,1H3,(H,31,32)/b7-4+/t14-,16-,18-,19-,20+,21-,23+,24+,25-/m1/s1

InChI Key

LWORTIDRRYUBBP-KGLXQJFJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6, 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
Avicennia marina	JEOL database	Sun, Y., et al, Magn. Reson.. Chem. 46, 638 (2008)

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	0.38	ALOGPS
logP	0.69	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	4.22	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	192.44 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	124.06 m³·mol⁻¹	ChemAxon
Polarizability	52.3 Å³	ChemAxon
Number of Rings	4	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

Not Available

References

General References

Sun, Y., et al. (2008). Sun, Y., et al, Magn. Reson.. Chem. 46, 638 (2008). Mag. Reson. Chem..

Showing NP-Card for marinoid C (NP0037455)

MOL for NP0037455 (marinoid C)

3D MOL for NP0037455 (marinoid C)

3D SDF for NP0037455 (marinoid C)

3D-SDF for NP0037455 (marinoid C)

PDB for NP0037455 (marinoid C)

3D PDB for NP0037455 (marinoid C)

SMILES for NP0037455 (marinoid C)

INCHI for NP0037455 (marinoid C)

Structure for NP0037455 (marinoid C)

3D Structure for NP0037455 (marinoid C)