NP-MRD: Showing NP-Card for epicolidine B (NP0332738)

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Record Information

Version

2.0

Created at

2024-03-26 03:47:13 UTC

Updated at

2024-11-01 01:36:56 UTC

NP-MRD ID

NP0332738

Natural Product DOI

https://doi.org/10.57994/1999

Secondary Accession Numbers

None

Natural Product Identification

Common Name

epicolidine B

Description

Epicolidine B belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on epicolidine B.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03262403472D          

 35 39  0  0  1  0            999 V2000
    6.2490    2.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4722    2.1710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8431    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664    2.4266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4372    2.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    1.6149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7712    0.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479    1.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4003    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453    0.0967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6375   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -0.2947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3490   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    0.3194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    1.1495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4288    1.5188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2763    1.0905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2579    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9998    1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7049    1.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697    0.6948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    2.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926    2.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7112    1.8727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1361    1.1655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521    2.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427    3.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420    1.3369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5642    1.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8522    2.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771    0.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247    1.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  1  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 26  1  1  0  0  0
 12 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 11  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  1  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
  8 34  1  1  0  0  0
  8 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END


  Mrv2104 03262403472D          

 35 39  0  0  1  0            999 V2000
    6.2490    2.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4722    2.1710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8431    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664    2.4266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4372    2.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    1.6149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7712    0.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479    1.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4003    0.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2453    0.0967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6375   -0.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -0.2947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3490   -1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584    0.3194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    1.1495    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4288    1.5188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2763    1.0905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2579    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9998    1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7049    1.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697    0.6948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    2.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926    2.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    0.6793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7112    1.8727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1361    1.1655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2521    2.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427    3.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420    1.3369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5642    1.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8522    2.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771    0.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3247    1.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  1  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 26  1  1  0  0  0
 12 26  1  0  0  0  0
 17 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 11  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  1  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
  8 34  1  1  0  0  0
  8 35  1  0  0  0  0
  2 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332738

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@@]2([H])C(=O)[C@@H]3C(C=C[C@@]4([H])C[C@@H](C)C[C@@H](C)[C@@]34[H])[C@]3(C)O[C@@]12O[C@H]3C

> <INCHI_IDENTIFIER>
InChI=1S/C26H39NO4/c1-8-14(3)23-26-21(24(29)27(23)7)22(28)20-18(25(6,31-26)16(5)30-26)10-9-17-12-13(2)11-15(4)19(17)20/h9-10,13-21,23H,8,11-12H2,1-7H3/t13-,14-,15+,16-,17-,18?,19+,20+,21+,23-,25+,26+/m0/s1

> <INCHI_KEY>
JBHJQHMWAGCNMM-WUBQCNFTSA-N

> <FORMULA>
C26H39NO4

> <MOLECULAR_WEIGHT>
429.601

> <EXACT_MASS>
429.28790874

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
49.139728818705024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,5S,7S,8R,9R,11S,13R,17S,18S)-2-[(2S)-butan-2-yl]-3,9,11,17,18-pentamethyl-19,20-dioxa-3-azapentacyclo[15.2.1.0^{1,5}.0^{7,16}.0^{8,13}]icos-14-ene-4,6-dione

> <JCHEM_LOGP>
4.991916368666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.722594363029717

> <JCHEM_PKA_STRONGEST_BASIC>
-4.019056290908323

> <JCHEM_POLAR_SURFACE_AREA>
55.84

> <JCHEM_REFRACTIVITY>
120.00019999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,7S,8R,9R,11S,13R,17S,18S)-2-[(2S)-butan-2-yl]-3,9,11,17,18-pentamethyl-19,20-dioxa-3-azapentacyclo[15.2.1.0^{1,5}.0^{7,16}.0^{8,13}]icos-14-ene-4,6-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAR-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAR-24         0                                  
HETATM    1  C   UNK     0      11.665   4.571   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.215   4.052   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.040   5.049   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.591   4.530   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.416   5.526   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.315   3.015   0.000  0.00  0.00           C+0
HETATM    7  H   UNK     0       7.040   1.499   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0       8.489   2.018   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.214   0.503   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.764  -0.016   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.590   0.980   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.191   0.181   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.923  -1.174   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.757  -0.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.518  -2.072   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.602   0.596   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.240   2.146   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.800   2.835   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.516   2.036   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.481   0.496   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.866   2.776   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.182   1.976   0.000  0.00  0.00           C+0
HETATM   23  H   UNK     0       0.877   1.297   0.000  0.00  0.00           H+0
HETATM   24  N   UNK     0       0.851   4.390   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      -0.360   5.342   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.297   1.268   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       3.194   3.496   0.000  0.00  0.00           C+0
HETATM   28  H   UNK     0       3.987   2.176   0.000  0.00  0.00           H+0
HETATM   29  C   UNK     0       2.337   4.801   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.880   6.242   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.865   2.496   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.787   3.699   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.324   5.142   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0       9.664   1.022   0.000  0.00  0.00           H+0
HETATM   35  C   UNK     0       9.939   2.537   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   35                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8   31                                             
CONECT    7    6                                                            
CONECT    8    6    9   34   35                                             
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   31                                                  
CONECT   12   11   13   14   26                                             
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   26   27                                             
CONECT   18   17   19   23   24                                             
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21                                                            
CONECT   23   18                                                            
CONECT   24   18   25   29                                                  
CONECT   25   24                                                            
CONECT   26   17   12                                                       
CONECT   27   17   28   29   32                                             
CONECT   28   27                                                            
CONECT   29   27   24   30                                                  
CONECT   30   29                                                            
CONECT   31   11    6   32                                                  
CONECT   32   31   27   33                                                  
CONECT   33   32                                                            
CONECT   34    8                                                            
CONECT   35    8    2                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₉NO₄

Average Mass

429.6010 Da

Monoisotopic Mass

429.28791 Da

IUPAC Name

(1R,2S,5S,7S,8R,9R,11S,13R,17S,18S)-2-[(2S)-butan-2-yl]-3,9,11,17,18-pentamethyl-19,20-dioxa-3-azapentacyclo[15.2.1.0^{1,5}.0^{7,16}.0^{8,13}]icos-14-ene-4,6-dione

Traditional Name

(1R,2S,5S,7S,8R,9R,11S,13R,17S,18S)-2-[(2S)-butan-2-yl]-3,9,11,17,18-pentamethyl-19,20-dioxa-3-azapentacyclo[15.2.1.0^{1,5}.0^{7,16}.0^{8,13}]icos-14-ene-4,6-dione

CAS Registry Number

Not Available

SMILES

[H][C@@]1([C@@H](C)CC)N(C)C(=O)[C@@]2([H])C(=O)[C@@H]3C(C=C[C@@]4([H])C[C@@H](C)C[C@@H](C)[C@@]34[H])[C@]3(C)O[C@@]12O[C@H]3C

InChI Identifier

InChI=1S/C26H39NO4/c1-8-14(3)23-26-21(24(29)27(23)7)22(28)20-18(25(6,31-26)16(5)30-26)10-9-17-12-13(2)11-15(4)19(17)20/h9-10,13-21,23H,8,11-12H2,1-7H3/t13-,14-,15+,16-,17-,18?,19+,20+,21+,23-,25+,26+/m0/s1

InChI Key

JBHJQHMWAGCNMM-WUBQCNFTSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	changshanshan91@163.com	Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences	Shanshan, Chang	2024-03-26	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	changshanshan91@163.com	Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences	Shanshan, Chang	2024-03-26	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	changshanshan91@163.com	Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences	Shanshan, Chang	2024-03-26	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	changshanshan91@163.com	Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences	Shanshan, Chang	2024-03-26	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
polycyclic tetramic acid		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Farsesane sesquiterpenoid
Sesquiterpenoid
Ketal
Oxepane
N-alkylpyrrolidine
1,3-dicarbonyl compound
2-pyrrolidone
Pyrrolidone
N-acyl-amine
Tertiary carboxylic acid amide
Pyrrolidine
Meta-dioxolane
Lactam
Ketone
Carboxamide group
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
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	4.99	ChemAxon
pKa (Strongest Acidic)	10.72	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.84 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	120 m³·mol⁻¹	ChemAxon
Polarizability	49.14 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

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

Showing NP-Card for epicolidine B (NP0332738)

MOL for NP0332738 (epicolidine B)

3D MOL for NP0332738 (epicolidine B)

3D SDF for NP0332738 (epicolidine B)

3D-SDF for NP0332738 (epicolidine B)

PDB for NP0332738 (epicolidine B)

3D PDB for NP0332738 (epicolidine B)

SMILES for NP0332738 (epicolidine B)

INCHI for NP0332738 (epicolidine B)

Structure for NP0332738 (epicolidine B)

3D Structure for NP0332738 (epicolidine B)