NP-MRD: Showing NP-Card for Berkeleyone C methyl ester (NP0331475)

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Record Information

Version

2.0

Created at

2023-01-30 20:00:32 UTC

Updated at

2024-09-03 04:15:51 UTC

NP-MRD ID

NP0331475

Natural Product DOI

https://doi.org/10.57994/0425

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Berkeleyone C methyl ester

Description

Berkeleyone C methyl ester belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Berkeleyone C methyl ester was first documented in 2023 (PMID: 36526742). Based on a literature review very few articles have been published on Berkeleyone C methyl ester.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652301302321002D          

 35 37  0  0  1  0            999 V2000
   -2.6723   -1.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774   -1.0445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5016   -0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    0.2412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5529    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316    0.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6441    1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2760    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    1.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    1.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953   -1.8197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3650   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -1.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -0.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -3.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5202   -1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9899   -0.9012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8141   -0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -0.2254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3199    0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0157    1.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2686   -0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8259    0.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6314    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5166   -1.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3524   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814   -1.0118    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
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 19 23  2  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  2  0  0  0  0
 27 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
 27 34  1  0  0  0  0
  4 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END


  Mrv1652301302321002D          

 35 37  0  0  1  0            999 V2000
   -2.6723   -1.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1774   -1.0445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5016   -0.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    0.2412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5529    0.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316    0.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6441    1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2760    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2954    1.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    1.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953   -1.8197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3650   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4663   -1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -1.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2481   -0.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -3.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737   -3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5202   -1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9899   -0.9012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8141   -0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631   -0.2254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3199    0.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0157    1.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2686   -0.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8259    0.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6314    0.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5166   -1.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3524   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814   -1.0118    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
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 19 23  2  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  2  0  0  0  0
 27 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  2  0  0  0  0
 27 34  1  0  0  0  0
  4 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0331475

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@]3(C)C(=C)[C@@](C(=O)OC)(C(=O)C(C)(O)C3=O)[C@@]1(C)CC=C(C(C)=C)[C@@]2(C)CCC(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C27H36O7/c1-15(2)17-10-13-25(6)18(23(17,4)12-11-19(28)33-8)14-24(5)16(3)27(25,22(31)34-9)21(30)26(7,32)20(24)29/h10,18,32H,1,3,11-14H2,2,4-9H3/t18-,23+,24+,25-,26?,27-/m0/s1

> <INCHI_KEY>
QOEQXNBFVKZFLG-ZNKBADBUSA-N

> <FORMULA>
C27H36O7

> <MOLECULAR_WEIGHT>
472.578

> <EXACT_MASS>
472.246103499

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
49.94825519127183

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl (1R,2S,6S,7S,9R)-11-hydroxy-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxo-5-(prop-1-en-2-yl)tricyclo[7.3.1.0^{2,7}]tridec-4-ene-1-carboxylate

> <JCHEM_LOGP>
3.8610563346666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.482263378416052

> <JCHEM_PKA_STRONGEST_BASIC>
-4.337457998280818

> <JCHEM_POLAR_SURFACE_AREA>
106.97

> <JCHEM_REFRACTIVITY>
126.71229999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1R,2S,6S,7S,9R)-11-hydroxy-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxo-5-(prop-1-en-2-yl)tricyclo[7.3.1.0^{2,7}]tridec-4-ene-1-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JAN-23         0                                  
HETATM    1  H   UNK     0      -4.988  -3.182   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -4.065  -1.950   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.803  -1.066   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.536   0.450   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.032   0.784   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.419   1.712   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.936   1.979   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.115   2.969   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.285   3.375   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -2.592   3.011   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.538  -3.397   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.548  -4.577   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.204  -2.627   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.870  -3.397   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.463  -2.627   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.797  -3.397   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.131  -2.627   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.463  -1.087   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.528  -4.577   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -6.024   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.484  -6.291   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.991  -7.203   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.044  -4.309   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.571  -2.862   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.581  -1.682   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.120  -1.615   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.464  -0.421   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.197   1.096   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -7.496   1.923   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -7.968  -0.754   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -9.008   0.381   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0     -10.512   0.048   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -8.431  -2.223   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.391  -0.476   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.005  -1.889   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11   25                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6   34                                             
CONECT    5    4                                                            
CONECT    6    4    7   10                                                  
CONECT    7    6    8    9   28                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    6                                                            
CONECT   11    2   12   13   19                                             
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15                                                            
CONECT   19   11   20   23                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19   24                                                       
CONECT   24   23   25                                                       
CONECT   25    2   24   26   27                                             
CONECT   26   25                                                            
CONECT   27   25   28   30   34                                             
CONECT   28   27    7   29                                                  
CONECT   29   28                                                            
CONECT   30   27   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30                                                            
CONECT   34   27    4   35                                                  
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₆O₇

Average Mass

472.5780 Da

Monoisotopic Mass

472.24610 Da

IUPAC Name

methyl (1R,2S,6S,7S,9R)-11-hydroxy-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxo-5-(prop-1-en-2-yl)tricyclo[7.3.1.0^{2,7}]tridec-4-ene-1-carboxylate

Traditional Name

methyl (1R,2S,6S,7S,9R)-11-hydroxy-6-(3-methoxy-3-oxopropyl)-2,6,9,11-tetramethyl-13-methylidene-10,12-dioxo-5-(prop-1-en-2-yl)tricyclo[7.3.1.0^{2,7}]tridec-4-ene-1-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@]3(C)C(=C)[C@@](C(=O)OC)(C(=O)C(C)(O)C3=O)[C@@]1(C)CC=C(C(C)=C)[C@@]2(C)CCC(=O)OC

InChI Identifier

InChI=1S/C27H36O7/c1-15(2)17-10-13-25(6)18(23(17,4)12-11-19(28)33-8)14-24(5)16(3)27(25,22(31)34-9)21(30)26(7,32)20(24)29/h10,18,32H,1,3,11-14H2,2,4-9H3/t18-,23+,24+,25-,26?,27-/m0/s1

InChI Key

QOEQXNBFVKZFLG-ZNKBADBUSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCL3, experimental)	hyeriku@gmail.com	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCL3, experimental)	hyeriku@gmail.com	Not Available	Not Available	2024-05-11	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CDCL3, experimental)	hyeriku@gmail.com	Not Available	Not Available	2024-05-11	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CDCL3, experimental)	hyeriku@gmail.com	Not Available	Not Available	2024-05-11	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CDCL3, experimental)	hyeriku@gmail.com	Not Available	Not Available	2024-05-11	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
sp. SSW03M2 GY		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Fatty acid methyl ester
Fatty acid ester
Beta-keto acid
Fatty acyl
Keto acid
Dicarboxylic acid or derivatives
Acyloin
Methyl ester
Tertiary alcohol
Cyclic alcohol
Alpha-hydroxy ketone
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	3.86	ChemAxon
pKa (Strongest Acidic)	11.48	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	106.97 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	126.71 m³·mol⁻¹	ChemAxon
Polarizability	49.95 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

Showing NP-Card for Berkeleyone C methyl ester (NP0331475)

MOL for NP0331475 (Berkeleyone C methyl ester)

3D MOL for NP0331475 (Berkeleyone C methyl ester)

3D SDF for NP0331475 (Berkeleyone C methyl ester)

3D-SDF for NP0331475 (Berkeleyone C methyl ester)

PDB for NP0331475 (Berkeleyone C methyl ester)

3D PDB for NP0331475 (Berkeleyone C methyl ester)

SMILES for NP0331475 (Berkeleyone C methyl ester)

INCHI for NP0331475 (Berkeleyone C methyl ester)

Structure for NP0331475 (Berkeleyone C methyl ester)

3D Structure for NP0331475 (Berkeleyone C methyl ester)