NP-MRD: Showing NP-Card for Lactucin-15-oxalate (NP0073603)

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Record Information

Version

2.0

Created at

2022-04-28 18:49:40 UTC

Updated at

2022-04-28 18:49:40 UTC

NP-MRD ID

NP0073603

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lactucin-15-oxalate

Description

Lactucin 15-oxalate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Lactucin 15-oxalate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Lactucin-15-oxalate is found in Lactuca sativa L. , Lactuca serriola and Lactuca serriola L. . Based on a literature review very few articles have been published on lactucin 15-oxalate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
   -3.0330    2.9269    0.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8895    2.2839    1.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0492    2.1733    2.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2309    2.8380    3.3819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0481    1.2090    2.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821    0.4114    1.0643 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3019   -0.4500    0.2843 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4383   -1.1103    0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480   -0.4414    1.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654    0.4577    0.7928 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356    0.1457   -0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9148   -1.0529   -0.7389 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6702    1.1120   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7318    2.3261   -0.8421 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303    0.7294   -2.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648   -2.4417    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1318   -2.7739    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2566   -3.9274   -0.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5794   -1.5487   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7668   -1.4172   -0.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -2.7139   -1.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5987   -0.2141   -1.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180    1.0378   -1.0729 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8806    0.8912   -2.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1108    1.5003    0.1177 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4442    3.4439    1.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5473    2.9339    0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4907   -0.0868    1.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577    0.1110   -0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663   -1.1843    2.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    0.1854    2.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2428    0.2794   -2.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -3.1498    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -3.2324   -2.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5484   -3.3090   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788   -2.5143   -1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.3450   -2.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4754   -0.1859   -0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477    1.9126   -1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2928    1.0570   -2.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    2.1333   -0.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  2  0
 19  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  2  3
  2 25  1  0
 25 23  1  0
 23 24  1  0
 23 22  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 15  1  0
 13 14  2  0
  8 16  2  0
 16 17  1  0
 17 18  2  0
 22 20  1  0
 17 19  1  0
 25  6  1  0
 21 34  1  0
 21 35  1  0
 21 36  1  0
  7 29  1  6
  6 28  1  1
  1 26  1  0
  1 27  1  0
 25 41  1  6
 23 39  1  6
 24 40  1  0
 22 37  1  0
 22 38  1  0
  9 30  1  0
  9 31  1  0
 15 32  1  0
 16 33  1  0
M  END


  Mrv1652304282220492D          

 25 27  0  0  1  0            999 V2000
   -1.7420   -2.3776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2941   -2.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176   -2.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3611   -1.4748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5977   -1.1620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8772   -1.5637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2724   -1.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6192   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174    0.4665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383   -0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9995    0.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9742   -0.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5194   -3.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816   -3.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -4.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746   -3.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -2.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551   -2.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551   -1.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -2.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -2.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -3.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  2  3  2  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
  1  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 11  1  1  0  0  0
 11 12  2  0  0  0  0
  5 13  1  6  0  0  0
  3 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0073603

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C1)C(COC(=O)C(O)=O)=CC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H16O8/c1-6-3-9(18)12-7(2)16(22)25-14(12)13-8(4-10(19)11(6)13)5-24-17(23)15(20)21/h4,9,12-14,18H,2-3,5H2,1H3,(H,20,21)/t9-,12+,13-,14-/m0/s1

> <INCHI_KEY>
LMOXWYJMYLUOMS-VZLIPTOUSA-N

> <FORMULA>
C17H16O8

> <MOLECULAR_WEIGHT>
348.307

> <EXACT_MASS>
348.084517475

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
33.349915196954214

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl]methyl hydrogen oxalate

> <ALOGPS_LOGP>
0.70

> <JCHEM_LOGP>
0.6163117690000001

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.840633270027421

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.206243248571583

> <JCHEM_PKA_STRONGEST_BASIC>
-2.924900733419208

> <JCHEM_POLAR_SURFACE_AREA>
127.2

> <JCHEM_REFRACTIVITY>
82.81149999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-9-yl]methyl hydrogen oxalate

> <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      -3.252  -4.438   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.282  -5.583   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.820  -5.491   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.706  -4.231   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.274  -2.753   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.849  -2.169   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.504  -2.919   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.375  -1.872   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -3.023  -0.474   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.273   0.871   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.552  -0.658   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.599   0.471   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -7.419  -1.723   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -6.569  -6.836   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.512  -6.916   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.139  -8.323   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.006  -6.596   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.845  -5.065   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.511  -4.295   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.822  -5.065   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.156  -4.295   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.156  -2.755   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.490  -5.065   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.823  -4.295   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       3.490  -6.605   0.000  0.00  0.00           O+0
CONECT    1    2    7   18                                                  
CONECT    2    1    3   15                                                  
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   13                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    1    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    6   12                                                  
CONECT   12   11                                                            
CONECT   13    5                                                            
CONECT   14    3                                                            
CONECT   15    2   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    1   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
Lactucin 15-oxalic acid	Generator

Chemical Formula

C₁₇H₁₆O₈

Average Mass

348.3070 Da

Monoisotopic Mass

348.08452 Da

IUPAC Name

[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-9-yl]methyl hydrogen oxalate

Traditional Name

[(3aR,4S,9aS,9bR)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-9-yl]methyl hydrogen oxalate

CAS Registry Number

Not Available

SMILES

CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C1)C(COC(=O)C(O)=O)=CC2=O

InChI Identifier

InChI=1S/C17H16O8/c1-6-3-9(18)12-7(2)16(22)25-14(12)13-8(4-10(19)11(6)13)5-24-17(23)15(20)21/h4,9,12-14,18H,2-3,5H2,1H3,(H,20,21)/t9-,12+,13-,14-/m0/s1

InChI Key

LMOXWYJMYLUOMS-VZLIPTOUSA-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
Lactuca sativa	Plant	KNApSAcK
Lactuca serriola	LOTUS Database	35616633
Lactuca serriola L.	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Gamma butyrolactone
Oxolane
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Lactone
Ketone
Carboxylic acid ester
Carboxylic acid
Organoheterocyclic compound
Oxacycle
Carbonyl group
Organic oxide
Alcohol
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
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	0.7	ALOGPS
logP	0.62	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	2.21	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	127.2 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	82.81 m³·mol⁻¹	ChemAxon
Polarizability	33.35 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

C00034017

Chemspider ID

58145762

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102242109

PDB ID

Not Available

ChEBI ID

90272

Good Scents ID

Not Available

References

General References

Showing NP-Card for Lactucin-15-oxalate (NP0073603)

MOL for NP0073603 (Lactucin-15-oxalate)

3D MOL for NP0073603 (Lactucin-15-oxalate)

3D SDF for NP0073603 (Lactucin-15-oxalate)

3D-SDF for NP0073603 (Lactucin-15-oxalate)

PDB for NP0073603 (Lactucin-15-oxalate)

3D PDB for NP0073603 (Lactucin-15-oxalate)

SMILES for NP0073603 (Lactucin-15-oxalate)

INCHI for NP0073603 (Lactucin-15-oxalate)

Structure for NP0073603 (Lactucin-15-oxalate)

3D Structure for NP0073603 (Lactucin-15-oxalate)