NP-MRD: Showing NP-Card for Grindelistrictoic acid (NP0065499)

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Record Information

Version

2.0

Created at

2022-04-28 09:43:15 UTC

Updated at

2022-04-28 09:43:15 UTC

NP-MRD ID

NP0065499

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Grindelistrictoic acid

Description

2-[(1R,4aS,5'S,8aS)-5,5,5',8a-tetramethyl-3-oxo-octahydrospiro[2-benzopyran-1,2'-oxolane]-5'-yl]acetic acid belongs to the class of organic compounds known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Grindelistrictoic acid is found in Grindelia hirsutula and Grindelia stricta. Based on a literature review very few articles have been published on 2-[(1R,4aS,5'S,8aS)-5,5,5',8a-tetramethyl-3-oxo-octahydrospiro[2-benzopyran-1,2'-oxolane]-5'-yl]acetic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
   -3.5001    0.7008    1.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    0.2634    0.4584 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6496    1.1696   -0.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3477   -1.1562    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3661   -2.0634   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -1.6956   -0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7067   -0.2310   -0.5103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2065   -0.0019   -1.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4865    0.5067    0.5444 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1666    1.9556    0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    2.3483   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2338    3.4148   -0.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910    1.4976   -0.4064 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7492    0.1124   -0.4678 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4772   -0.3979   -1.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051   -0.1846   -1.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848   -0.5438    0.2237 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3541   -1.9330    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5964    0.4295    1.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0048    0.4145    0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4122   -0.3036   -0.3240 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9795    1.2232    1.2176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4371   -0.4938    0.5489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5605   -0.1357    2.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5372    1.1251    1.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    1.5557    2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9416    1.7748   -1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3510    1.8926   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3144    0.5413   -1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2687   -1.1621   -0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7290   -1.6191    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4672   -3.1024    0.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -2.2384   -1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -2.3326   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5802   -1.9311    0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475   -0.3192   -2.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9826    1.0170   -2.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915   -0.6883   -2.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1614    0.0418    1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774    2.6118    0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843    2.2571    1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122   -1.4830   -1.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.2122   -2.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1177    0.9061   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300   -0.8163   -1.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4973   -2.6371    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050   -2.1513   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073   -2.0619    1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300    1.4545    0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    0.1295    2.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7685    2.1275    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  6
 17 19  1  0
 19 20  1  0
 20 22  1  0
 20 21  2  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 23  1  1
 14 13  1  0
 13 11  1  0
 11 12  2  0
 11 10  1  0
 10  9  1  0
  9  2  1  0
  2  1  1  1
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
 23 17  1  0
  7  9  1  0
  7 14  1  0
 18 46  1  0
 18 47  1  0
 18 48  1  0
 19 49  1  0
 19 50  1  0
 22 51  1  0
 16 44  1  0
 16 45  1  0
 15 42  1  0
 15 43  1  0
 10 40  1  0
 10 41  1  0
  9 39  1  1
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  8 36  1  0
  8 37  1  0
  8 38  1  0
M  END


  Mrv1652304282211432D          

 23 25  0  0  1  0            999 V2000
    1.6704    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2728    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0857    1.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    1.9794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6940    1.4157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8811    0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0954    1.6554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2824    2.4590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199    3.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329    3.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1093    2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    0.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    0.4868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3042    1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9055    1.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4786   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2740   -0.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857    0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6193   -0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3639    0.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    0.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8822    1.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529    2.5202    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 11  1  1  0  0  0
  7 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 15  1  0  0  0  0
 13 16  1  1  0  0  0
 13 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  5 21  1  1  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0065499

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]1(CC(O)=O)CC[C@@]2(O1)OC(=O)C[C@H]1C(C)(C)CCC[C@]21C

> <INCHI_IDENTIFIER>
InChI=1S/C18H28O5/c1-15(2)6-5-7-17(4)12(15)10-14(21)22-18(17)9-8-16(3,23-18)11-13(19)20/h12H,5-11H2,1-4H3,(H,19,20)/t12-,16-,17-,18-/m0/s1

> <INCHI_KEY>
DCLCKUFBVFESAH-JUKXBJQTSA-N

> <FORMULA>
C18H28O5

> <MOLECULAR_WEIGHT>
324.417

> <EXACT_MASS>
324.193674002

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
34.866324897184604

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(1R,4aS,5'S,8aS)-5,5,5',8a-tetramethyl-3-oxo-octahydrospiro[2-benzopyran-1,2'-oxolane]-5'-yl]acetic acid

> <ALOGPS_LOGP>
3.20

> <JCHEM_LOGP>
3.3822357026666667

> <ALOGPS_LOGS>
-4.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.492053640914213

> <JCHEM_PKA_STRONGEST_BASIC>
-4.387925121816776

> <JCHEM_POLAR_SURFACE_AREA>
72.83

> <JCHEM_REFRACTIVITY>
83.3834

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4aS,5'S,8aS)-5,5,5',8a-tetramethyl-3-oxo-tetrahydro-4H-spiro[2-benzopyran-1,2'-oxolane]-5'-ylacetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       3.118   0.695   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.243   1.747   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.893   3.247   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.420   3.695   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.295   2.643   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.645   1.143   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.178   3.090   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.527   4.590   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.597   5.642   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.248   7.142   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.071   5.195   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.012   1.562   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.382   0.909   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.434   2.033   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.690   3.381   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.893  -0.552   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.378  -0.266   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.893   0.009   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.889  -1.165   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.413   1.459   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.551   1.294   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.380   3.649   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.392   4.704   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   22   23                                             
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7   21                                             
CONECT    6    5    1                                                       
CONECT    7    5    8   12   15                                             
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    4                                                       
CONECT   12    7   13                                                       
CONECT   13   12   14   16   17                                             
CONECT   14   13   15                                                       
CONECT   15   14    7                                                       
CONECT   16   13                                                            
CONECT   17   13   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    5                                                            
CONECT   22    3                                                            
CONECT   23    3                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
2-[(1R,4AS,5's,8as)-5,5,5',8a-tetramethyl-3-oxo-octahydrospiro[2-benzopyran-1,2'-oxolane]-5'-yl]acetate	Generator

Chemical Formula

C₁₈H₂₈O₅

Average Mass

324.4170 Da

Monoisotopic Mass

324.19367 Da

IUPAC Name

2-[(1R,4aS,5'S,8aS)-5,5,5',8a-tetramethyl-3-oxo-octahydrospiro[2-benzopyran-1,2'-oxolane]-5'-yl]acetic acid

Traditional Name

(1R,4aS,5'S,8aS)-5,5,5',8a-tetramethyl-3-oxo-tetrahydro-4H-spiro[2-benzopyran-1,2'-oxolane]-5'-ylacetic acid

CAS Registry Number

Not Available

SMILES

C[C@@]1(CC(O)=O)CC[C@@]2(O1)OC(=O)C[C@H]1C(C)(C)CCC[C@]21C

InChI Identifier

InChI=1S/C18H28O5/c1-15(2)6-5-7-17(4)12(15)10-14(21)22-18(17)9-8-16(3,23-18)11-13(19)20/h12H,5-11H2,1-4H3,(H,19,20)/t12-,16-,17-,18-/m0/s1

InChI Key

DCLCKUFBVFESAH-JUKXBJQTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Grindelia hirsutula	LOTUS Database	35616633
Grindelia stricta	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

Not Available

Direct Parent

Benzopyrans

Alternative Parents

Substituents

Benzopyran
Ketal
Delta valerolactone
Delta_valerolactone
Dicarboxylic acid or derivatives
Oxane
Tetrahydrofuran
Lactone
Carboxylic acid ester
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Acetal
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
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	3.2	ALOGPS
logP	3.38	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	4.49	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.83 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	83.38 m³·mol⁻¹	ChemAxon
Polarizability	34.87 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	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

14430850

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Grindelistrictoic acid (NP0065499)

MOL for NP0065499 (Grindelistrictoic acid)

3D MOL for NP0065499 (Grindelistrictoic acid)

3D SDF for NP0065499 (Grindelistrictoic acid)

3D-SDF for NP0065499 (Grindelistrictoic acid)

PDB for NP0065499 (Grindelistrictoic acid)

3D PDB for NP0065499 (Grindelistrictoic acid)

SMILES for NP0065499 (Grindelistrictoic acid)

INCHI for NP0065499 (Grindelistrictoic acid)

Structure for NP0065499 (Grindelistrictoic acid)

3D Structure for NP0065499 (Grindelistrictoic acid)