NP-MRD: Showing NP-Card for Cyclocalopin D (NP0049498)

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Record Information

Version

2.0

Created at

2022-03-17 21:13:29 UTC

Updated at

2022-03-17 21:13:29 UTC

NP-MRD ID

NP0049498

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cyclocalopin D

Description

Cyclocalopin D belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cyclocalopin D is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, cyclocalopin D has been detected, but not quantified in, mushrooms. Cyclocalopin D is found in Caloboletus calopus. This could make cyclocalopin D a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061311252D          

 36 40  0  0  0  0            999 V2000
    1.8160    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239   -2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -1.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7514    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    1.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    2.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077   -0.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0313   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321    1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219   -1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210   -2.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864    1.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    3.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477    2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320    1.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855   -1.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892   -0.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006   -0.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    1.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 23 13  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24  5  1  0  0  0  0
 25  9  2  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 19  1  0  0  0  0
 30 20  2  0  0  0  0
 31  7  1  0  0  0  0
 31  9  1  0  0  0  0
 32  6  1  0  0  0  0
 32 20  1  0  0  0  0
 33 12  1  0  0  0  0
 33 21  1  0  0  0  0
 34 17  1  0  0  0  0
 34 21  1  0  0  0  0
 35 11  1  0  0  0  0
 35 22  1  0  0  0  0
 36 18  1  0  0  0  0
 36 22  1  0  0  0  0
M  END


  Mrv0541 05061311252D          

 36 40  0  0  0  0            999 V2000
    1.8160    1.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -1.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9239   -2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -0.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2527    0.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -1.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -0.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7514    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535   -0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    1.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    2.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971    0.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077   -0.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625    0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0313   -0.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321    1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219   -1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2210   -2.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864    1.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839    3.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477    2.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8320    1.1565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855   -1.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892   -0.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006   -0.1330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    0.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    1.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22  3  1  0  0  0  0
 23  4  1  0  0  0  0
 23 13  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24  5  1  0  0  0  0
 25  9  2  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 29 19  1  0  0  0  0
 30 20  2  0  0  0  0
 31  7  1  0  0  0  0
 31  9  1  0  0  0  0
 32  6  1  0  0  0  0
 32 20  1  0  0  0  0
 33 12  1  0  0  0  0
 33 21  1  0  0  0  0
 34 17  1  0  0  0  0
 34 21  1  0  0  0  0
 35 11  1  0  0  0  0
 35 22  1  0  0  0  0
 36 18  1  0  0  0  0
 36 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049498

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(OC1OC(CO)C(O)C(O)C1O)=C4COC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3

> <INCHI_KEY>
PDSOUSYYTLHECG-UHFFFAOYSA-N

> <FORMULA>
C23H32O13

> <MOLECULAR_WEIGHT>
516.4924

> <EXACT_MASS>
516.18429111

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
49.835720106732495

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate

> <ALOGPS_LOGP>
-1.08

> <JCHEM_LOGP>
-2.9548130159999992

> <ALOGPS_LOGS>
-1.52

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.960061625228505

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.163731432091902

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810921617898405

> <JCHEM_POLAR_SURFACE_AREA>
190.66999999999996

> <JCHEM_REFRACTIVITY>
115.28359999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.56e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       3.390   2.286   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.723  -2.910   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.725  -3.958   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.458  -1.119   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.072   0.414   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.500   1.037   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.010  -0.112   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.963   0.946   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.256  -2.768   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.477  -0.254   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.798  -1.719   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.136   1.637   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.273  -0.431   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.727   3.059   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.792   4.283   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.265   4.084   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.555   1.041   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.121  -1.717   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.050   0.776   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.658  -1.625   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.673   2.662   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.721  -2.418   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.731  -0.763   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -7.599   0.613   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -4.146  -4.025   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -7.255   3.258   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -5.383   5.704   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -2.329   5.307   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.553   2.159   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.506  -2.911   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -3.900  -1.369   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.348  -0.248   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -3.609   1.439   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.146   2.463   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.186  -2.988   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       3.173  -2.949   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    9                                                            
CONECT    3   22                                                            
CONECT    4   11   23                                                       
CONECT    5   12   24                                                       
CONECT    6    8   32                                                       
CONECT    7   10   31                                                       
CONECT    8    1    6   13                                                  
CONECT    9    2   25   31                                                  
CONECT   10    7   11   17                                                  
CONECT   11    4   10   35                                                  
CONECT   12    5   14   33                                                  
CONECT   13    8   18   23                                                  
CONECT   14   12   15   26                                                  
CONECT   15   14   16   27                                                  
CONECT   16   15   21   28                                                  
CONECT   17   10   19   34                                                  
CONECT   18   13   20   36                                                  
CONECT   19   17   23   29                                                  
CONECT   20   18   30   32                                                  
CONECT   21   16   33   34                                                  
CONECT   22    3   23   35   36                                             
CONECT   23    4   13   19   22                                             
CONECT   24    5                                                            
CONECT   25    9                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31    7    9                                                       
CONECT   32    6   20                                                       
CONECT   33   12   21                                                       
CONECT   34   17   21                                                       
CONECT   35   11   22                                                       
CONECT   36   18   22                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

View in JSmol

Synonyms

Value	Source
(14-Hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetic acid	Generator

Chemical Formula

C₂₃H₃₂O₁₃

Average Mass

516.4924 Da

Monoisotopic Mass

516.18429 Da

IUPAC Name

(14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate

Traditional Name

(14-hydroxy-3,9-dimethyl-6-oxo-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,8,10-trioxatetracyclo[9.3.1.0¹,⁹.0²,⁷]pentadec-12-en-12-yl)methyl acetate

CAS Registry Number

Not Available

SMILES

CC1COC(=O)C2OC3(C)OC4CC3(C12)C(O)C(OC1OC(CO)C(O)C(O)C1O)=C4COC(C)=O

InChI Identifier

InChI=1S/C23H32O13/c1-8-6-32-20(30)18-13(8)23-4-11(35-22(23,3)36-18)10(7-31-9(2)25)17(19(23)29)34-21-16(28)15(27)14(26)12(5-24)33-21/h8,11-16,18-19,21,24,26-29H,4-7H2,1-3H3

InChI Key

PDSOUSYYTLHECG-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Agaricus bisporus	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
Caloboletus calopus	LOTUS Database	35616633
Pleurotus ostreatus	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Furopyran
Furofuran
Ketal
Delta valerolactone
Delta_valerolactone
Dicarboxylic acid or derivatives
Monosaccharide
Oxane
Pyran
Tetrahydrofuran
Furan
Secondary alcohol
Lactone
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Acetal
Carboxylic acid derivative
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Primary alcohol
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	-1.1	ALOGPS
logP	-3	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	12.16	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	190.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	115.28 m³·mol⁻¹	ChemAxon
Polarizability	49.84 Å³	ChemAxon
Number of Rings	5	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

HMDB0039813

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB019463

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

85315209

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Cyclocalopin D (NP0049498)

MOL for NP0049498 (Cyclocalopin D)

3D MOL for NP0049498 (Cyclocalopin D)

3D SDF for NP0049498 (Cyclocalopin D)

3D-SDF for NP0049498 (Cyclocalopin D)

PDB for NP0049498 (Cyclocalopin D)

3D PDB for NP0049498 (Cyclocalopin D)

SMILES for NP0049498 (Cyclocalopin D)

INCHI for NP0049498 (Cyclocalopin D)

Structure for NP0049498 (Cyclocalopin D)

3D Structure for NP0049498 (Cyclocalopin D)