NP-MRD: Showing NP-Card for (7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione (NP0142604)

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Record Information

Version

2.0

Created at

2022-09-01 21:11:08 UTC

Updated at

2022-09-01 21:11:08 UTC

NP-MRD ID

NP0142604

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione

Description

(7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]Nonacosa-1(29),2(11),3,9,17,20(25),21,23,27-nonaene-5,26-dione belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. (7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione is found in Streptomyces tendae. Based on a literature review very few articles have been published on (7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]Nonacosa-1(29),2(11),3,9,17,20(25),21,23,27-nonaene-5,26-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309012223112D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309012223112D          

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    2.7151    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0429   -0.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7316   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399   -1.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    0.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8790   -1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3873   -2.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6986   -1.5821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0264   -2.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903   -0.9196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0098   -1.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5016   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625   -0.1626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3542    0.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 19  2  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 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  1  0  0  0  0
 31 33  2  0  0  0  0
 27 33  1  0  0  0  0
 14 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  0  0  0  0
 38 41  1  0  0  0  0
 29 41  1  0  0  0  0
 41 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0142604

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1[C@H](O)C2=C(C(O)=C3C(=C2)[C@H](OC)C2OCOC4=C5OC6=C(OC)C(Cl)=CC=C6C(=O)C5=C(O)C3=C24)C(=O)N1C

> <INCHI_IDENTIFIER>
InChI=1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42-27/h5-7,19,22,25,29,33-35H,8H2,1-4H3/t19-,22+,25?,29-/m1/s1

> <INCHI_KEY>
NEOMIZJYHXSRLV-AKMKAUCSSA-N

> <FORMULA>
C29H24ClNO11

> <MOLECULAR_WEIGHT>
597.96

> <EXACT_MASS>
597.1037883

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
59.41863345440911

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0^{2,11}.0^{4,9}.0^{13,29}.0^{18,27}.0^{20,25}]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
3.924363099333333

> <ALOGPS_LOGS>
-3.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.444846306818436

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.273943380058581

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4636095969644827

> <JCHEM_POLAR_SURFACE_AREA>
153.45000000000002

> <JCHEM_REFRACTIVITY>
146.1616

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0^{2,11}.0^{4,9}.0^{13,29}.0^{18,27}.0^{20,25}]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-22         0                                  
HETATM    1  C   UNK     0      -8.088   1.463   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -6.559   1.286   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.947  -0.127   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.865  -1.363   0.000  0.00  0.00           C+0
HETATM    5 Cl   UNK     0      -8.394  -1.187   0.000  0.00  0.00          Cl+0
HETATM    6  C   UNK     0      -6.253  -2.777   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.723  -2.953   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.805  -1.717   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.275  -1.893   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.663  -3.307   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.357  -0.657   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.173  -0.833   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.785  -2.247   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.091   0.403   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.479   1.816   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.051   1.993   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.969   0.756   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.499   0.933   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.417  -0.303   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.663   3.406   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.745   4.643   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.785   4.466   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.397   3.053   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.926   2.876   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.844   4.113   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.374   3.936   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.538   1.463   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.068   1.286   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.680  -0.127   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.762  -1.363   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.232  -1.187   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.314  -2.423   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.620   0.227   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.374  -2.777   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       4.456  -4.013   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0       6.904  -2.953   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0       7.516  -4.366   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.822  -1.717   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.352  -1.893   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      10.270  -0.657   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       7.210  -0.303   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       8.128   0.933   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   19                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   19                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   17                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   33                                                  
CONECT   15   14   16   23                                                  
CONECT   16   15   17   20                                                  
CONECT   17   16   11   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18    3    8                                                  
CONECT   20   16   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   15   24                                                  
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   33                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   41                                                  
CONECT   30   29   31   34                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   27   14                                                  
CONECT   34   30   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38   29   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₂₄ClNO₁₁

Average Mass

597.9600 Da

Monoisotopic Mass

597.10379 Da

IUPAC Name

(7R,8R,12S)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0^{2,11}.0^{4,9}.0^{13,29}.0^{18,27}.0^{20,25}]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@@H]1[C@H](O)C2=C(C(O)=C3C(=C2)[C@H](OC)C2OCOC4=C5OC6=C(OC)C(Cl)=CC=C6C(=O)C5=C(O)C3=C24)C(=O)N1C

InChI Identifier

InChI=1S/C29H24ClNO11/c1-31-28(36)14-10(19(33)29(31)39-4)7-11-13(20(14)34)15-16-25(22(11)37-2)40-8-41-26(16)27-17(21(15)35)18(32)9-5-6-12(30)24(38-3)23(9)42-27/h5-7,19,22,25,29,33-35H,8H2,1-4H3/t19-,22+,25?,29-/m1/s1

InChI Key

NEOMIZJYHXSRLV-AKMKAUCSSA-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
Streptomyces tendae	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Xanthone
Naphthopyranone
Phenanthrene
Naphthopyran
1-naphthol
Isoquinolone
Chromone
Tetrahydroisoquinoline
Naphthalene
Anisole
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Aryl halide
Aryl chloride
Heteroaromatic compound
Vinylogous acid
Tertiary carboxylic acid amide
Secondary alcohol
Lactam
Carboxamide group
Oxacycle
Azacycle
Polyol
Ether
Dialkyl ether
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	2.44	ALOGPS
logP	3.92	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	7.27	ChemAxon
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	153.45 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	146.16 m³·mol⁻¹	ChemAxon
Polarizability	59.42 Å³	ChemAxon
Number of Rings	7	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

163043641

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione (NP0142604)

MOL for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

3D MOL for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

3D SDF for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

3D-SDF for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

PDB for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

3D PDB for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

SMILES for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

INCHI for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

Structure for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)

3D Structure for NP0142604 ((7r,8r,12s)-22-chloro-3,8,28-trihydroxy-7,12,21-trimethoxy-6-methyl-14,16,19-trioxa-6-azaheptacyclo[15.11.1.0²,¹¹.0⁴,⁹.0¹³,²⁹.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-1(29),2,4(9),10,17,20,22,24,27-nonaene-5,26-dione)