NP-MRD: Showing NP-Card for (1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone (NP0204227)

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Record Information

Version

2.0

Created at

2022-09-04 23:52:01 UTC

Updated at

2022-09-04 23:52:01 UTC

NP-MRD ID

NP0204227

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052201522D          

 36 42  0  0  1  0            999 V2000
   -0.4610    0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413   -2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188   -1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9637   -0.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444   -0.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    1.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0664    0.2899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8613   -0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679   -1.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2355   -2.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1393   -1.1304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0069   -1.9447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7783   -1.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   -1.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6822   -0.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4536   -0.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0432   -0.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9470    1.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5366    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7652    1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1262    1.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -0.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443   -1.1465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0753   -1.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7175   -2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -3.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299   -0.4286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1146   -0.3027    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
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  6  7  1  0  0  0  0
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  9 10  2  0  0  0  0
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 30 35  1  0  0  0  0
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 35 36  1  1  0  0  0
M  END

     RDKit          3D

 54 60  0  0  0  0  0  0  0  0999 V2000
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   -2.8744    0.2571   -1.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600   -0.3238   -0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5181    0.1595    0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323   -0.5117    1.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3065   -0.3370    2.8785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464   -1.3477    1.4381 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3956   -0.8070    0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0000   -0.6716   -1.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9070   -1.1987   -2.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    0.2744   -1.5909 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7400    1.5680   -1.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145   -0.0754   -2.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787    1.0926   -2.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6166    1.3027   -1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7206    1.8299   -0.7859 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523    0.8915    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    1.0327    1.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4129    1.6188    1.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0213   -0.2309   -3.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8307   -0.9851   -2.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7959    1.7598    2.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 39  1  0
M  END


  Mrv1652309052201522D          

 36 42  0  0  1  0            999 V2000
   -0.4610    0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -0.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7070   -0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -1.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413   -2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0204227

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)=C2C(=O)OC[C@@]3(O)C(=O)C4=C([C@@H]5[C@H](O)[C@]44COC(=O)C6=C(O)C=C(C)C(C5=O)=C46)C1=C23

> <INCHI_IDENTIFIER>
InChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21?,25-,26-/m0/s1

> <INCHI_KEY>
SCVGKUUIKGANLF-WNJCXCHNSA-N

> <FORMULA>
C26H18O10

> <MOLECULAR_WEIGHT>
490.42

> <EXACT_MASS>
490.08999678

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
46.3464388817462

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R,14R,24S)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone

> <JCHEM_LOGP>
2.4060444740000007

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.131653908034309

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.981224343013408

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3081593197226757

> <JCHEM_POLAR_SURFACE_AREA>
167.66

> <JCHEM_REFRACTIVITY>
122.13409999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,14R,24S)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.861   1.348   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.328  -0.097   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.320  -1.282   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.762  -2.736   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.757  -3.911   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.782  -3.050   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.799  -1.864   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.203  -0.356   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.255   0.859   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.755   2.316   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.857   0.541   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.341  -0.162   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.094  -1.682   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.287  -2.656   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.040  -4.176   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.727  -2.110   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.480  -3.630   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.920  -3.084   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.359  -2.538   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.607  -1.018   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      12.047  -0.472   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.414  -0.044   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.661   1.476   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.101   2.022   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.468   2.450   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.028   1.904   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.836   2.878   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.781   0.384   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.974  -0.590   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.443  -2.140   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.874  -3.677   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.854  -4.845   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.339  -4.517   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.335  -5.685   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       3.603  -0.800   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.081  -0.565   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   33                                                  
CONECT    7    6    8   30                                                  
CONECT    8    7    2    9                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   35                                                  
CONECT   12   11   13   28                                                  
CONECT   13   12   14   30                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18   29                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   29                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   12   29                                                  
CONECT   29   28   22   16                                                  
CONECT   30   13    7   31   35                                             
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32    6   34                                                  
CONECT   34   33                                                            
CONECT   35   30   11   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₁₈O₁₀

Average Mass

490.4200 Da

Monoisotopic Mass

490.09000 Da

IUPAC Name

(1S,4R,14R,24S)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone

Traditional Name

(1S,4R,14R,24S)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1^{1,16}.1^{4,8}.0^{2,13}.0^{12,26}.0^{20,25}]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C2C(=O)OC[C@@]3(O)C(=O)C4=C([C@@H]5[C@H](O)[C@]44COC(=O)C6=C(O)C=C(C)C(C5=O)=C46)C1=C23

InChI Identifier

InChI=1S/C26H18O10/c1-7-3-10(28)14-18-11(7)15-16-20(29)12-8(2)4-9(27)13-17(12)25(21(16)30,5-35-23(13)32)19(15)22(31)26(18,34)6-36-24(14)33/h3-4,16,21,27-28,30,34H,5-6H2,1-2H3/t16-,21?,25-,26-/m0/s1

InChI Key

SCVGKUUIKGANLF-WNJCXCHNSA-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
Talaromyces bacillisporus	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	2.41	ChemAxon
pKa (Strongest Acidic)	7.98	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	167.66 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	122.13 m³·mol⁻¹	ChemAxon
Polarizability	46.35 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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 (1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone (NP0204227)

MOL for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

3D MOL for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

3D SDF for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

3D-SDF for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

PDB for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

3D PDB for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

SMILES for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

INCHI for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

Structure for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)

3D Structure for NP0204227 ((1s,4r,14r,24s)-4,9,19,24-tetrahydroxy-11,17-dimethyl-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8,10,12(26),16(25),17,19-heptaene-3,7,15,21-tetrone)