NP-MRD: Showing NP-Card for (4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid (NP0189503)

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Record Information

Version

2.0

Created at

2022-09-04 05:59:45 UTC

Updated at

2022-09-04 05:59:46 UTC

NP-MRD ID

NP0189503

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid

Description

Fornicatin A belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring. (4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid is found in Ganoderma fornicatum. Based on a literature review very few articles have been published on Fornicatin A.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309042207592D          

 34 37  0  0  1  0            999 V2000
    5.1045    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    1.6863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8260    1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5381    1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9671    1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971    1.2698    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3155    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    0.9849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6118    0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257    1.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742    2.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3148    3.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3821    2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.6011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2515    2.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516    2.2205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7022    2.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    2.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961    3.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688    3.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    1.7933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0236    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.4607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0132    0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397    0.9752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1403    0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  5  7  1  0  0  0  0
  8  2  1  1  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  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  1  0  0  0
 14 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 28  1  6  0  0  0
 13 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
M  END


  Mrv1652309042207592D          

 34 37  0  0  1  0            999 V2000
    5.1045    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    1.6863    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8260    1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5381    1.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9671    1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971    1.2698    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3155    0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    0.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    0.9849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6118    0.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    1.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257    1.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5742    2.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3148    3.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3821    2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.6011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2515    2.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516    2.2205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7022    2.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781    2.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222    2.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961    3.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688    3.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    1.7933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0236    0.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345    0.4607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0132    0.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4397    0.9752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1403    0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    1.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    1.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  5  7  1  0  0  0  0
  8  2  1  1  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  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 18  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  1  0  0  0
 14 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  6  0  0  0
 29 28  1  6  0  0  0
 13 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0189503

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CCC(O)=O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@](C)(CCC(O)=O)[C@H]1C[C@@H]3O[C@]1(C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1

> <INCHI_KEY>
IABFUGDOHOVCEJ-MHSARYRJSA-N

> <FORMULA>
C27H40O7

> <MOLECULAR_WEIGHT>
476.61

> <EXACT_MASS>
476.277403628

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
52.55093429386566

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-4-[(1S,3R,6R,7R,11S,12R,13S)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0^{2,10}.0^{3,7}]pentadec-2(10)-en-6-yl]pentanoic acid

> <JCHEM_LOGP>
2.958208782999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.746806387368909

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.140992122573372

> <JCHEM_PKA_STRONGEST_BASIC>
-3.076988286182285

> <JCHEM_POLAR_SURFACE_AREA>
121.13

> <JCHEM_REFRACTIVITY>
125.68889999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(4R)-4-[(1S,3R,6R,7R,11S,12R,13S)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0^{2,10}.0^{3,7}]pentadec-2(10)-en-6-yl]pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       9.528   4.688   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.537   3.148   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.875   2.385   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.205   3.163   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.543   2.401   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      14.872   3.178   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      13.551   0.861   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.208   2.370   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.056   0.838   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.551   0.509   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.774   1.838   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.875   0.587   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.265   2.150   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.781   3.612   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.805   4.762   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.321   6.224   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.313   4.451   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.798   2.989   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.936   4.026   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.336   4.145   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.177   5.435   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.266   5.252   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.228   4.878   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.299   5.985   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -2.793   5.612   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -0.875   7.466   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.019   3.348   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.911   1.803   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.424   0.860   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.891   0.713   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.821   1.820   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.262   0.725   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.702   2.053   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.262   3.487   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    2    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   18                                             
CONECT   12   11                                                            
CONECT   13   11   14   29                                                  
CONECT   14   13   15   20                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    8   11   19                                             
CONECT   19   18                                                            
CONECT   20   14   21   22   27                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   20   28   31                                                  
CONECT   28   27   29                                                       
CONECT   29   28   13   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   27   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₀O₇

Average Mass

476.6100 Da

Monoisotopic Mass

476.27740 Da

IUPAC Name

(4R)-4-[(1S,3R,6R,7R,11S,12R,13S)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0^{2,10}.0^{3,7}]pentadec-2(10)-en-6-yl]pentanoic acid

Traditional Name

(4R)-4-[(1S,3R,6R,7R,11S,12R,13S)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0^{2,10}.0^{3,7}]pentadec-2(10)-en-6-yl]pentanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@](C)(CCC(O)=O)[C@H]1C[C@@H]3O[C@]1(C)CO

InChI Identifier

InChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1

InChI Key

IABFUGDOHOVCEJ-MHSARYRJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ganoderma fornicatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Carbocyclic fatty acids

Alternative Parents

Substituents

Carbocyclic fatty acid
Branched fatty acid
Heterocyclic fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Methyl-branched fatty acid
Cyclohexenone
Dicarboxylic acid or derivatives
Oxolane
Ketone
Ether
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Organic oxide
Aldehyde
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Primary alcohol
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	2.96	ChemAxon
pKa (Strongest Acidic)	4.14	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	121.13 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	125.69 m³·mol⁻¹	ChemAxon
Polarizability	52.55 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

9492489

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11317523

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid (NP0189503)

MOL for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

3D MOL for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

3D SDF for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

3D-SDF for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

PDB for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

3D PDB for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

SMILES for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

INCHI for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

Structure for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)

3D Structure for NP0189503 ((4r)-4-[(1s,3r,6r,7r,11s,12r,13s)-11-(2-carboxyethyl)-13-(hydroxymethyl)-3,7,11,13-tetramethyl-9-oxo-14-oxatetracyclo[10.2.1.0²,¹⁰.0³,⁷]pentadec-2(10)-en-6-yl]pentanoic acid)