NP-MRD: Showing NP-Card for (12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol (NP0260937)

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Record Information

Version

2.0

Created at

2022-09-08 03:14:50 UTC

Updated at

2022-09-08 03:14:50 UTC

NP-MRD ID

NP0260937

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082205142D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309082205142D          

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   12.4999   -4.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8998   -3.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7246   -3.3492    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.4696   -2.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8807   -1.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2977   -4.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782   -5.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5347   -6.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303   -7.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2733   -6.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7698   -6.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322   -6.7138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7249   -6.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8753   -6.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0584   -6.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1749   -5.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5506   -5.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533   -5.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6057   -6.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -6.6599    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.2502   -6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1951   -4.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7865   -4.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1600   -3.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669   -2.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170   -2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5170   -3.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -3.4208    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.9473   -4.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5361   -4.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1191   -1.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5386   -1.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436   -0.4741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8846   -0.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5650    0.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 12  1  0  0  0  0
  9 13  1  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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 37  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 39 45  1  0  0  0  0
 45 46  1  0  0  0  0
 41 47  1  0  0  0  0
 47 48  1  0  0  0  0
 49 48  1  4  0  0  0
 49 50  2  0  0  0  0
  3 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0260937

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O\N=C1\CC2=CC(Br)=C(OC3=CC(C\C(=N\O)\C(\O)=N/C=C\C4=CC=C(OC5=CC(CCN=C1O)=CC(Br)=C5O)C(Br)=C4)=CC(Br)=C3O)C(Br)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25-,43-26-

> <INCHI_KEY>
YCBNAUHIFJRIQW-RELPSNCRSA-N

> <FORMULA>
C34H25Br5N4O8

> <MOLECULAR_WEIGHT>
1017.114

> <EXACT_MASS>
1011.758929

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
79.48044572846112

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(12Z,25Z,26E,28E)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2^{14,17}.1^{3,7}.1^{19,23}]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol

> <JCHEM_LOGP>
9.399323475450773

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.3266014683742777

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7319709974577053

> <JCHEM_PKA_STRONGEST_BASIC>
1.385973816562325

> <JCHEM_POLAR_SURFACE_AREA>
189.28

> <JCHEM_REFRACTIVITY>
208.81749999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(12Z,25Z,26E,28E)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2^{14,17}.1^{3,7}.1^{19,23}]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  O   UNK     0      12.740   2.452   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0      14.161   1.859   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      14.358   0.332   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.944   0.292   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.469  -0.246   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.252  -1.804   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.417  -2.814   0.000  0.00  0.00           C+0
HETATM    8 Br   UNK     0      18.124  -4.326   0.000  0.00  0.00          Br+0
HETATM    9  C   UNK     0      19.905  -2.303   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.181  -0.742   0.000  0.00  0.00           C+0
HETATM   11 Br   UNK     0      21.624  -0.206   0.000  0.00  0.00          Br+0
HETATM   12  C   UNK     0      18.978   0.238   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      20.947  -3.542   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      21.710  -4.935   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.013  -6.339   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.746  -7.746   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      23.333  -7.642   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.080  -6.285   0.000  0.00  0.00           C+0
HETATM   19 Br   UNK     0      25.619  -6.252   0.000  0.00  0.00          Br+0
HETATM   20  C   UNK     0      23.277  -4.965   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      24.044  -3.630   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      21.089  -9.234   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      20.306 -10.639   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      21.532 -11.572   0.000  0.00  0.00           N+0
HETATM   25  O   UNK     0      21.337 -13.099   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      19.177 -11.752   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      20.104 -12.982   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      17.793 -12.532   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      16.286 -12.969   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.701 -12.929   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.176 -12.391   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.393 -10.833   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.228  -9.823   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.739 -10.335   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.464 -11.895   0.000  0.00  0.00           C+0
HETATM   36 Br   UNK     0       9.021 -12.432   0.000  0.00  0.00          Br+0
HETATM   37  C   UNK     0      11.667 -12.875   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       9.698  -9.096   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.935  -7.702   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.632  -6.299   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.898  -4.892   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.312  -4.995   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.565  -6.352   0.000  0.00  0.00           C+0
HETATM   44 Br   UNK     0       5.025  -6.385   0.000  0.00  0.00          Br+0
HETATM   45  C   UNK     0       7.368  -7.672   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       6.601  -9.007   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       9.556  -3.403   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      10.339  -1.998   0.000  0.00  0.00           C+0
HETATM   49  N   UNK     0      11.468  -0.885   0.000  0.00  0.00           N+0
HETATM   50  C   UNK     0      12.851  -0.105   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      12.255   1.315   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   50                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5                                                       
CONECT   13    9   14                                                       
CONECT   14   13   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   14   21                                                  
CONECT   21   20                                                            
CONECT   22   16   23                                                       
CONECT   23   22   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   38                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   31                                                       
CONECT   38   34   39                                                       
CONECT   39   38   40   45                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   47                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   39   46                                                  
CONECT   46   45                                                            
CONECT   47   41   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49    3   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  110    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₂₅Br₅N₄O₈

Average Mass

1017.1140 Da

Monoisotopic Mass

1011.75893 Da

IUPAC Name

(12Z,25Z,26E,28E)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2^{14,17}.1^{3,7}.1^{19,23}]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol

Traditional Name

CAS Registry Number

Not Available

SMILES

O\N=C1\CC2=CC(Br)=C(OC3=CC(C\C(=N\O)\C(\O)=N/C=C\C4=CC=C(OC5=CC(CCN=C1O)=CC(Br)=C5O)C(Br)=C4)=CC(Br)=C3O)C(Br)=C2

InChI Identifier

InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25-,43-26-

InChI Key

YCBNAUHIFJRIQW-RELPSNCRSA-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, 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

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ianthella basta	LOTUS Database	35616633
Ianthella quadrangulata	LOTUS Database	35616633

Chemical Taxonomy

Classification

Not classified

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	9.4	ChemAxon
pKa (Strongest Acidic)	2.73	ChemAxon
pKa (Strongest Basic)	1.39	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	189.28 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	208.82 m³·mol⁻¹	ChemAxon
Polarizability	79.48 Å³	ChemAxon
Number of Rings	5	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

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol (NP0260937)

MOL for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

3D MOL for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

3D SDF for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

3D-SDF for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

PDB for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

3D PDB for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

SMILES for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

INCHI for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

Structure for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)

3D Structure for NP0260937 ((12z,25z,26e,28e)-5,16,21,33,36-pentabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,28,30,33,36-pentadecaene-4,11,20,26-tetrol)