NP-MRD: Showing NP-Card for Anagigantic acid (NP0333025)

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Record Information

Version

2.0

Created at

2024-05-03 09:28:49 UTC

Updated at

2025-07-31 01:09:29 UTC

NP-MRD ID

NP0333025

Natural Product DOI

https://doi.org/10.57994/2318

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Anagigantic acid

Description

6-Undecylsalicylic acid belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids. 6-Undecylsalicylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 49  0  0  0  0  0  0  0  0999 V2000
    7.6001    0.9762    1.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1444    0.5163    1.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4453    1.3160    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9713    0.9829    0.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7441   -0.4471   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -0.8082   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353   -0.0102   -1.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1717   -0.3513   -1.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6510   -0.1121   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0874   -0.4999   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0088   -0.2940    0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4068   -0.6399    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8497   -1.9052    0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1054   -2.3217    0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9420   -1.4679   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5129   -0.1683   -0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3686    0.6214   -1.3700 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2367    0.2438   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8141    1.5951   -0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5832    2.3885   -1.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5768    2.0750   -0.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6669    2.0763    1.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0165    0.7952    2.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1747    0.4212    0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -0.5647    1.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7650    0.6988    2.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4807    2.3838    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9799    1.2604   -0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    1.6584   -0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933    1.2624    1.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1914   -0.5988   -1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3041   -1.1546    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8113   -0.5256    0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101   -1.9052   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788    1.0734   -1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1257   -0.2387   -2.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203    0.2401   -2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1290   -1.4275   -1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3031   -0.6642    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6533    0.9701    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -1.6039   -0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.0010   -1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6756   -1.0790    1.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9033    0.6604    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1741   -2.5926    1.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500   -3.3394    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9509   -1.7451   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4371    1.4911   -1.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3935    3.0374   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
 18 12  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  5 31  1  0
  5 32  1  0
  6 33  1  0
  6 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  8 38  1  0
  9 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 11 44  1  0
 13 45  1  0
 14 46  1  0
 15 47  1  0
 17 48  1  0
 21 49  1  0
M  END


  Mrv1533004191514242D          

 21 21  0  0  0  0            999 V2000
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 O   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
  6  7  1  0  0  0  0
  7  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333025

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14,19H,2-10,12H2,1H3,(H,20,21)

> <INCHI_KEY>
KWYIZCAVXFLWSZ-UHFFFAOYSA-N

> <FORMULA>
C18H28O3

> <MOLECULAR_WEIGHT>
292.419

> <EXACT_MASS>
292.203844762

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
35.5709109566468

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-hydroxy-6-undecylbenzoic acid

> <ALOGPS_LOGP>
6.19

> <JCHEM_LOGP>
6.936371441666667

> <ALOGPS_LOGS>
-4.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.364273313398293

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.6407335510874566

> <JCHEM_PKA_STRONGEST_BASIC>
-6.287065354678245

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
86.34629999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.99e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-6-undecylbenzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.337 -12.320   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.672 -12.320   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.005 -11.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      21.339 -12.320   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      20.005 -16.170   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.004 -13.860   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      17.338 -16.170   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   12   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END

View in JSmol

Synonyms

Value	Source
6-Undecylsalicylate	Generator
2-Hydroxy-6-undecylbenzoate	Generator

Chemical Formula

C₁₈H₂₈O₃

Average Mass

292.4190 Da

Monoisotopic Mass

292.20384 Da

IUPAC Name

2-hydroxy-6-undecylbenzoic acid

Traditional Name

2-hydroxy-6-undecylbenzoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC1=CC=CC(O)=C1C(O)=O

InChI Identifier

InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14,19H,2-10,12H2,1H3,(H,20,21)

InChI Key

KWYIZCAVXFLWSZ-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CDCl3, experimental)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600.17 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600.17, CDCl₃, simulated)	olivier.kirchhoffer@unige.ch	University of Geneva	Olivier Kirchhoffer	2024-05-03	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Knema oblongifolia		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Substituents

Salicylic acid
Benzoic acid
Benzoyl
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Vinylogous acid
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	6.19	ALOGPS
logP	6.94	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	2.64	ChemAxon
pKa (Strongest Basic)	-6.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	86.35 m³·mol⁻¹	ChemAxon
Polarizability	35.57 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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

10946274

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Anagigantic acid (NP0333025)

MOL for NP0333025 (Anagigantic acid)

3D MOL for NP0333025 (Anagigantic acid)

3D SDF for NP0333025 (Anagigantic acid)

3D-SDF for NP0333025 (Anagigantic acid)

PDB for NP0333025 (Anagigantic acid)

3D PDB for NP0333025 (Anagigantic acid)

SMILES for NP0333025 (Anagigantic acid)

INCHI for NP0333025 (Anagigantic acid)

Structure for NP0333025 (Anagigantic acid)

3D Structure for NP0333025 (Anagigantic acid)