NP-MRD: Showing NP-Card for (+)-Excavatolide W (NP0082569)

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Record Information

Version

2.0

Created at

2022-04-29 03:37:46 UTC

Updated at

2022-04-29 03:37:46 UTC

NP-MRD ID

NP0082569

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Excavatolide W

Description

(1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]Octadec-12-en-5-yl propanoate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (+)-Excavatolide W is found in Briaereum excavatum and Briareum excavatum. Based on a literature review very few articles have been published on (1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]Octadec-12-en-5-yl propanoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652304292205372D          

 37 40  0  0  1  0            999 V2000
    3.4900   -0.4522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9440    0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5745    0.9743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7510    1.0231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2969    0.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664   -0.4034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2123   -1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841    0.3463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0193   -0.3057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1957   -0.2569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3952    0.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3815    1.7607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8355    2.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    3.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    3.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0892    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123    0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826    0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315    1.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3202    0.4624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8350   -0.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0607    0.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0286    1.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    1.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062    2.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595   -1.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1371   -0.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0525   -1.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761   -2.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 12 20  1  0  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 25  1  6  0  0  0
 24 26  1  1  0  0  0
  8 27  1  6  0  0  0
  4 28  1  6  0  0  0
  3 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END


  Mrv1652304292205372D          

 37 40  0  0  1  0            999 V2000
    3.4900   -0.4522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9440    0.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5745    0.9743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7510    1.0231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2969    0.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664   -0.4034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2123   -1.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841    0.3463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0193   -0.3057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1957   -0.2569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3952    0.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5579    1.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3815    1.7607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8355    2.4495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    3.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    3.2360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9201    3.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0892    1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123    0.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6826    0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315    1.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3202    0.4624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8350   -0.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0607    0.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0286    1.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    1.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062    2.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595   -1.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6830   -1.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1371   -0.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0525   -1.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761   -2.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 12 20  1  0  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 25  1  6  0  0  0
 24 26  1  1  0  0  0
  8 27  1  6  0  0  0
  4 28  1  6  0  0  0
  3 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0082569

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]([C@H]1C)[C@@H](O)[C@]13O[C@@]1(C)C(=O)O[C@H]3\C=C(C)/CC[C@H]2OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H38O10/c1-8-21(30)35-17-12-19(34-16(5)29)25(6)18(33-15(4)28)10-9-13(2)11-20-27(23(31)22(25)14(17)3)26(7,37-27)24(32)36-20/h11,14,17-20,22-23,31H,8-10,12H2,1-7H3/b13-11-/t14-,17-,18+,19-,20-,22+,23+,25-,26-,27-/m0/s1

> <INCHI_KEY>
QBPHCUGJAMMXSE-FYVFDOMWSA-N

> <FORMULA>
C27H38O10

> <MOLECULAR_WEIGHT>
522.591

> <EXACT_MASS>
522.246497424

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
54.195153562082965

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-5-yl propanoate

> <ALOGPS_LOGP>
2.56

> <JCHEM_LOGP>
1.9742555719999992

> <ALOGPS_LOGS>
-4.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.541239928534544

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4368616552589897

> <JCHEM_POLAR_SURFACE_AREA>
137.96

> <JCHEM_REFRACTIVITY>
127.47489999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.09e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-5-yl propanoate

> <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       6.515  -0.844   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.362   0.442   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.672   1.819   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.135   1.910   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.288   0.624   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.977  -0.753   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.130  -2.039   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.957   0.646   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.903  -0.571   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.365  -0.480   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.738   1.035   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.523   2.183   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.061   2.092   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.908   3.378   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.445   3.287   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.293   4.572   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.603   5.949   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.066   6.040   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.451   7.235   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.167   3.560   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.023   1.011   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.274   1.841   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.365   3.378   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.464   0.863   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.425  -0.340   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.173   2.231   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.847   1.797   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.983   3.196   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.520   3.104   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.057   3.013   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       9.905   4.299   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       9.747   1.636   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       7.204  -2.221   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.742  -2.312   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.589  -1.026   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.431  -3.689   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.969  -3.780   0.000  0.00  0.00           C+0
CONECT    1    2    6   33                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   29                                                  
CONECT    4    3    5   15   28                                             
CONECT    5    4    6    8                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    5    9   27                                                  
CONECT    9    8   10   24   25                                             
CONECT   10    9   11   21                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    4   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   12                                                            
CONECT   21   10   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    9   25   26                                             
CONECT   25   24    9                                                       
CONECT   26   24                                                            
CONECT   27    8                                                            
CONECT   28    4                                                            
CONECT   29    3   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33    1   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Value	Source
(1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-Bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0,.0,]octadec-12-en-5-yl propanoic acid	Generator

Chemical Formula

C₂₇H₃₈O₁₀

Average Mass

522.5910 Da

Monoisotopic Mass

522.24650 Da

IUPAC Name

(1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-5-yl propanoate

Traditional Name

(1R,2R,3S,4R,5S,7S,8S,9R,12Z,14S,17R)-7,9-bis(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadec-12-en-5-yl propanoate

CAS Registry Number

Not Available

SMILES

CCC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]([C@H]1C)[C@@H](O)[C@]13O[C@@]1(C)C(=O)O[C@H]3\C=C(C)/CC[C@H]2OC(C)=O

InChI Identifier

InChI=1S/C27H38O10/c1-8-21(30)35-17-12-19(34-16(5)29)25(6)18(33-15(4)28)10-9-13(2)11-20-27(23(31)22(25)14(17)3)26(7,37-27)24(32)36-20/h11,14,17-20,22-23,31H,8-10,12H2,1-7H3/b13-11-/t14-,17-,18+,19-,20-,22+,23+,25-,26-,27-/m0/s1

InChI Key

QBPHCUGJAMMXSE-FYVFDOMWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Briaereum excavatum	-	KNApSAcK
Briareum excavatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Briarane diterpenoid
Tetracarboxylic acid or derivatives
Para-dioxane
Gamma butyrolactone
Tetrahydrofuran
Secondary alcohol
Lactone
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organic oxygen 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	2.56	ALOGPS
logP	1.97	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	13.54	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	137.96 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	127.47 m³·mol⁻¹	ChemAxon
Polarizability	54.2 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

29212893

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163041568

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (+)-Excavatolide W (NP0082569)

MOL for NP0082569 ((+)-Excavatolide W)

3D MOL for NP0082569 ((+)-Excavatolide W)

3D SDF for NP0082569 ((+)-Excavatolide W)

3D-SDF for NP0082569 ((+)-Excavatolide W)

PDB for NP0082569 ((+)-Excavatolide W)

3D PDB for NP0082569 ((+)-Excavatolide W)

SMILES for NP0082569 ((+)-Excavatolide W)

INCHI for NP0082569 ((+)-Excavatolide W)

Structure for NP0082569 ((+)-Excavatolide W)

3D Structure for NP0082569 ((+)-Excavatolide W)