NP-MRD: Showing NP-Card for (1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one (NP0286804)

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Record Information

Version

2.0

Created at

2022-09-09 15:33:37 UTC

Updated at

2022-09-09 15:33:37 UTC

NP-MRD ID

NP0286804

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one

Description

Kendomycin B belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. (1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one was first documented in 2021 (PMID: 34940672). Based on a literature review very few articles have been published on Kendomycin B.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092217332D          

 34 37  0  0  1  0            999 V2000
    8.4407    0.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1982    0.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8601   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7645   -0.8454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4264   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0071   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3452   -0.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5877   -1.0069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9259   -0.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1684   -0.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5065   -0.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986   -0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390   -1.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422   -0.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6344    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4551    1.6170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3597    2.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3595    0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    1.9439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3081    2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8744    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6319    1.7784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7274    2.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2938    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -1.6608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3154   -1.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7347   -2.1533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6392   -2.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4922   -1.8263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1541   -2.3188    0.0000 C   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  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 11 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
  2 28  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
  8 33  1  0  0  0  0
 33 34  1  6  0  0  0
M  END


  Mrv1652309092217332D          

 34 37  0  0  1  0            999 V2000
    8.4407    0.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1982    0.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8601   -0.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7645   -0.8454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4264   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0071   -1.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3452   -0.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5877   -1.0069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9259   -0.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1684   -0.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5065   -0.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6986   -0.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390   -1.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    0.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422   -0.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6344    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4551    1.6170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3597    2.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3595    0.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6021    0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125    1.9439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3081    2.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8744    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6319    1.7784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7274    2.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2938    1.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -1.6608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3154   -1.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7347   -2.1533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6392   -2.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4922   -1.8263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1541   -2.3188    0.0000 C   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  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 11 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
  2 28  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
  8 33  1  0  0  0  0
 33 34  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0286804

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=CC(=O)C(O)=C([C@H](O2)[C@H](C)[C@H]1C)C4=C3

> <INCHI_IDENTIFIER>
InChI=1S/C29H42O5/c1-15-8-9-24-20(6)19(5)21(7)28(33-24)26-22-14-29(32,34-25(22)13-23(30)27(26)31)18(4)12-17(3)11-16(2)10-15/h10,13-15,17-21,24,28,31-32H,8-9,11-12H2,1-7H3/b16-10+/t15-,17+,18-,19-,20+,21+,24+,28+,29+/m0/s1

> <INCHI_KEY>
KWKITCKAXYJDML-RPSOVOHRSA-N

> <FORMULA>
C29H42O5

> <MOLECULAR_WEIGHT>
470.65

> <EXACT_MASS>
470.303224452

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
52.87121651106574

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1^{6,9}.0^{2,7}]tetracosa-2,5,7,14-tetraen-4-one

> <JCHEM_LOGP>
5.6575209353333324

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.691952146851886

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.914888951110894

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8281452005197094

> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001

> <JCHEM_REFRACTIVITY>
138.24810000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1^{6,9}.0^{2,7}]tetracosa-2,5,7,14-tetraen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      15.756   0.260   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.170   0.871   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.405  -0.049   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.227  -1.578   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.463  -2.497   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.813  -2.188   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.578  -1.269   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.164  -1.880   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.928  -0.960   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      11.514  -1.571   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.279  -0.651   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.771  -0.963   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.286  -2.424   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.747   0.188   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       6.239  -0.123   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       8.231   1.650   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.740   1.961   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      10.517   3.290   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      12.050   3.018   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      11.871   4.548   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      11.871   1.489   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.457   0.878   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.463   3.629   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.642   5.158   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.699   2.709   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.113   3.320   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.291   4.849   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      17.348   2.400   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.336  -3.100   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.922  -3.711   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.572  -4.020   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.393  -5.549   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.985  -3.409   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.221  -4.328   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   28                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   33                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   29                                                  
CONECT   11   10   12   22                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21   23                                             
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   17   11                                                  
CONECT   23   19   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26    2                                                       
CONECT   29   10   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31    8   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

C₂₉H₄₂O₅

Average Mass

470.6500 Da

Monoisotopic Mass

470.30322 Da

IUPAC Name

(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1^{6,9}.0^{2,7}]tetracosa-2,5,7,14-tetraen-4-one

Traditional Name

(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1^{6,9}.0^{2,7}]tetracosa-2,5,7,14-tetraen-4-one

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=CC(=O)C(O)=C([C@H](O2)[C@H](C)[C@H]1C)C4=C3

InChI Identifier

InChI=1S/C29H42O5/c1-15-8-9-24-20(6)19(5)21(7)28(33-24)26-22-14-29(32,34-25(22)13-23(30)27(26)31)18(4)12-17(3)11-16(2)10-15/h10,13-15,17-21,24,28,31-32H,8-9,11-12H2,1-7H3/b16-10+/t15-,17+,18-,19-,20+,21+,24+,28+,29+/m0/s1

InChI Key

KWKITCKAXYJDML-RPSOVOHRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzofurans

Sub Class

Not Available

Direct Parent

Benzofurans

Alternative Parents

Substituents

Benzofuran
Oxane
Vinylogous ester
Dihydrofuran
Cyclic ketone
Ketone
Hemiacetal
Oxacycle
Ether
Enol
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	5.66	ChemAxon
pKa (Strongest Acidic)	8.91	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	75.99 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	138.25 m³·mol⁻¹	ChemAxon
Polarizability	52.87 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

145721314

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Chen J, Zhang S, Chen Y, Tian X, Gu Y, Ju J: Identification and Heterologous Expression of the Kendomycin B Biosynthetic Gene Cluster from Verrucosispora sp. SCSIO 07399. Mar Drugs. 2021 Nov 26;19(12). pii: md19120673. doi: 10.3390/md19120673. [PubMed:34940672 ]
LOTUS database [Link]

Showing NP-Card for (1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one (NP0286804)

MOL for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

3D MOL for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

3D SDF for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

3D-SDF for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

PDB for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

3D PDB for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

SMILES for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

INCHI for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

Structure for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)

3D Structure for NP0286804 ((1r,9s,10s,12s,14e,16s,19r,20r,21s,22r)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1⁶,⁹.0²,⁷]tetracosa-2,5,7,14-tetraen-4-one)