NP-MRD: Showing NP-Card for Salaspermic acid (NP0079278)

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Record Information

Version

2.0

Created at

2022-04-29 00:18:54 UTC

Updated at

2022-04-29 00:18:54 UTC

NP-MRD ID

NP0079278

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Salaspermic acid

Description

(1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]Tetracosane-11-carboxylic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Salaspermic acid is found in Maytenus loevis, Monteverdia ilicifolia, Orthosphenia mexicana, Plenckia populnea, Salacia chinensis, Salacia macrosperma , Salacia prinoides, Tripterygium hypoglaucum, Tripterygium regelii and Tripterygium wilfordii . Based on a literature review very few articles have been published on (1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]Tetracosane-11-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304292202182D          

 34 39  0  0  1  0            999 V2000
    6.6315   -0.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365   -0.2899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4606    0.4688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2797    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747   -0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4506   -0.8512    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1975   -1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5778   -1.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354   -2.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3473   -1.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9656    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8224    0.2715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3174   -0.3886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9933   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1743   -1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   -0.5859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0033    0.1728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5145    0.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.0085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8450   -0.7007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5187   -1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   -1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -0.8828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7876   -0.4753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2956   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381   -1.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647   -0.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5436    0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616   -1.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8124   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274    0.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7847    1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 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
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  1  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 21 30  1  1  0  0  0
 17 31  1  6  0  0  0
 14 32  1  1  0  0  0
 13 33  1  6  0  0  0
  3 34  1  1  0  0  0
M  END


  Mrv1652304292202182D          

 34 39  0  0  1  0            999 V2000
    6.6315   -0.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365   -0.2899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4606    0.4688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2797    0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747   -0.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4506   -0.8512    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1975   -1.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5778   -1.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9354   -2.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3473   -1.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9656    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1465    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8224    0.2715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3174   -0.3886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9933   -1.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1743   -1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   -0.5859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0033    0.1728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5145    0.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3125    0.0085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8450   -0.7007    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5187   -1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6618   -1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -0.8828    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7876   -0.4753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2956   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381   -1.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647   -0.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5436    0.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616   -1.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8124   -1.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274    0.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7847    1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 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
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  1  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 21 30  1  1  0  0  0
 17 31  1  6  0  0  0
 14 32  1  1  0  0  0
 13 33  1  6  0  0  0
  3 34  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0079278

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@]2(O)CC[C@@H]3[C@@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@@]3(C)CC[C@]12C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24+,25-,26-,27-,28+,29-,30+/m1/s1

> <INCHI_KEY>
ZXENWDWQTWYUGY-JGUSYTFPSA-N

> <FORMULA>
C30H48O4

> <MOLECULAR_WEIGHT>
472.71

> <EXACT_MASS>
472.355260026

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
75.47832451032562

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid

> <ALOGPS_LOGP>
5.03

> <JCHEM_LOGP>
6.270655359666666

> <ALOGPS_LOGS>
-6.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.842293875557578

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.773280185250421

> <JCHEM_PKA_STRONGEST_BASIC>
-4.1799806750361315

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
132.74899999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      12.379  -1.773   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.455  -0.541   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.060   0.875   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.589   1.059   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.513  -0.173   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.908  -1.589   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.302  -2.243   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.145  -3.111   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.946  -4.077   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      15.582  -3.666   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.136   2.107   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.607   1.923   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.002   0.507   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.926  -0.725   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.321  -2.141   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.792  -2.326   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.868  -1.094   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.473   0.323   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.560   1.585   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.027   1.422   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.317   0.016   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.311  -1.308   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.702  -2.833   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.102  -2.974   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.181  -1.648   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.337  -0.887   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.285  -2.101   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.818  -2.363   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.614  -0.140   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.881   0.874   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.275  -2.515   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.850  -1.957   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.078   1.739   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.665   2.291   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   14                                                  
CONECT    3    2    4   11   34                                             
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7    8                                             
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    3   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   18   33                                             
CONECT   14   13    2   15   32                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22   31                                             
CONECT   18   17   13   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   26   30                                             
CONECT   22   21   17   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   28   29                                             
CONECT   26   25   21   27                                                  
CONECT   27   26                                                            
CONECT   28   25                                                            
CONECT   29   25   30                                                       
CONECT   30   29   21                                                       
CONECT   31   17                                                            
CONECT   32   14                                                            
CONECT   33   13                                                            
CONECT   34    3                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   78    0
END

View in JSmol

Synonyms

Value	Source
(1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-Hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0,.0,.0,.0,]tetracosane-11-carboxylate	Generator

Chemical Formula

C₃₀H₄₈O₄

Average Mass

472.7100 Da

Monoisotopic Mass

472.35526 Da

IUPAC Name

(1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid

Traditional Name

(1S,4S,5R,8R,11R,13R,14S,17R,18S,21S,24R)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@]2(O)CC[C@@H]3[C@@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@@]3(C)CC[C@]12C)C(O)=O

InChI Identifier

InChI=1S/C30H48O4/c1-19-29-9-7-20-26(4,21(29)8-10-30(19,33)34-18-29)14-16-28(6)22-17-25(3,23(31)32)12-11-24(22,2)13-15-27(20,28)5/h19-22,33H,7-18H2,1-6H3,(H,31,32)/t19-,20+,21+,22-,24+,25-,26-,27-,28+,29-,30+/m1/s1

InChI Key

ZXENWDWQTWYUGY-JGUSYTFPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Maytenus loevis	Plant	KNApSAcK
Monteverdia ilicifolia	LOTUS Database	35616633
Orthosphenia mexicana	LOTUS Database	35616633
Plenckia populnea	LOTUS Database	35616633
Salacia chinensis	LOTUS Database	35616633
Salacia macrosperma	Plant	KNApSAcK
Salacia prinoides	Plant	KNApSAcK
Tripterygium hypoglaucum	LOTUS Database	35616633
Tripterygium regelii	LOTUS Database	35616633
Tripterygium wilfordii	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Oxepane
Tetrahydrofuran
Cyclic alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
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	5.03	ALOGPS
logP	6.27	ChemAxon
logS	-6.4	ALOGPS
pKa (Strongest Acidic)	4.77	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	132.75 m³·mol⁻¹	ChemAxon
Polarizability	75.48 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

162244813

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Salaspermic acid (NP0079278)

MOL for NP0079278 (Salaspermic acid)

3D MOL for NP0079278 (Salaspermic acid)

3D SDF for NP0079278 (Salaspermic acid)

3D-SDF for NP0079278 (Salaspermic acid)

PDB for NP0079278 (Salaspermic acid)

3D PDB for NP0079278 (Salaspermic acid)

SMILES for NP0079278 (Salaspermic acid)

INCHI for NP0079278 (Salaspermic acid)

Structure for NP0079278 (Salaspermic acid)

3D Structure for NP0079278 (Salaspermic acid)