NP-MRD: Showing NP-Card for (2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one (NP0247238)

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Record Information

Version

2.0

Created at

2022-09-07 09:00:54 UTC

Updated at

2022-09-07 09:00:54 UTC

NP-MRD ID

NP0247238

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one

Description

(2S,3R,4E,6R)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]Nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole. (2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one is found in Streptomyces longisporoflavus. Based on a literature review very few articles have been published on (2S,3R,4E,6R)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]Nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072211002D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072211002D          

 38 45  0  0  1  0            999 V2000
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    3.3911    0.5989    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 29 28  1  6  0  0  0
 15 29  1  0  0  0  0
 29 30  1  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
 31 34  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
  7 37  1  0  0  0  0
  4 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0247238

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COCN1CC2=C(C1=O)C1=C3N([C@H]4C\C(=N/O)[C@@H](OC)[C@](C)(O4)N4C5=CC=CC=C5C2=C34)C2=C1C=CC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C29H26N4O5/c1-29-27(37-3)18(30-35)12-21(38-29)32-19-10-6-4-8-15(19)23-24-17(13-31(14-36-2)28(24)34)22-16-9-5-7-11-20(16)33(29)26(22)25(23)32/h4-11,21,27,35H,12-14H2,1-3H3/b30-18+/t21-,27-,29+/m1/s1

> <INCHI_KEY>
HSTNZDLROFJOCU-ACQGXSFPSA-N

> <FORMULA>
C29H26N4O5

> <MOLECULAR_WEIGHT>
510.55

> <EXACT_MASS>
510.190319953

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
54.86542235267048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4E,6R)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

> <JCHEM_LOGP>
4.369952425000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.279700107790788

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.682624802048352

> <JCHEM_PKA_STRONGEST_BASIC>
0.7033963461207551

> <JCHEM_POLAR_SURFACE_AREA>
90.45000000000002

> <JCHEM_REFRACTIVITY>
139.9172

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4E,6R)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       4.981  -3.170   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.971  -1.630   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.632  -0.869   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       3.622   0.671   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       2.371   1.568   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.837   3.036   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.377   3.046   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.255   4.370   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.797   4.790   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.077   3.935   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.459   4.616   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.559   6.152   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.279   7.008   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.898   6.327   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       5.403   6.934   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       4.409   5.672   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.832   5.741   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.012   4.410   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.466   4.825   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.792   3.938   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.190   4.584   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.330   6.117   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.071   7.005   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.327   6.359   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       1.854   7.051   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       2.318   8.738   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.804   9.023   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.720   8.577   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.108   8.608   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.180  10.280   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.907  11.233   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       4.015  12.769   0.000  0.00  0.00           N+0
HETATM   33  O   UNK     0       5.399  13.444   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.497  10.458   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.215  11.310   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.165  10.625   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.862   1.584   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.330   1.118   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   37                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   18                                                  
CONECT    7    6    8   37                                                  
CONECT    8    7    9   16                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    9   15                                                  
CONECT   15   14   16   29                                                  
CONECT   16   15    8   17                                                  
CONECT   17   16   18   25                                                  
CONECT   18   17    6   19                                                  
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19   25                                                  
CONECT   25   24   17   26                                                  
CONECT   26   25   27   28   34                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   15   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   26   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37    7    4   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₂₆N₄O₅

Average Mass

510.5500 Da

Monoisotopic Mass

510.19032 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COCN1CC2=C(C1=O)C1=C3N([C@H]4C\C(=N/O)[C@@H](OC)[C@](C)(O4)N4C5=CC=CC=C5C2=C34)C2=C1C=CC=C2

InChI Identifier

InChI=1S/C29H26N4O5/c1-29-27(37-3)18(30-35)12-21(38-29)32-19-10-6-4-8-15(19)23-24-17(13-31(14-36-2)28(24)34)22-16-9-5-7-11-20(16)33(29)26(22)25(23)32/h4-11,21,27,35H,12-14H2,1-3H3/b30-18+/t21-,27-,29+/m1/s1

InChI Key

HSTNZDLROFJOCU-ACQGXSFPSA-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 longisporoflavus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Carbazoles

Direct Parent

Indolocarbazoles

Alternative Parents

Substituents

Indolocarbazole
Pyrrolo[2,3-a]carbazole
Pyrroloindole
Isoindolone
Isoindole or derivatives
Isoindoline
Indole
Benzenoid
Oxane
Heteroaromatic compound
Tertiary carboxylic acid amide
Pyrrole
Ketoxime
Lactam
Carboxamide group
Oxacycle
Azacycle
Oxime
Ether
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
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

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

78440325

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162991054

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one (NP0247238)

MOL for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

3D MOL for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

3D SDF for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

3D-SDF for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

PDB for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

3D PDB for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

SMILES for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

INCHI for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

Structure for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)

3D Structure for NP0247238 ((2s,3r,4e,6r)-4-(hydroxyimino)-3-methoxy-17-(methoxymethyl)-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one)