NP-MRD: Showing NP-Card for (8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one (NP0141665)

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Record Information

Version

2.0

Created at

2022-09-01 20:02:08 UTC

Updated at

2022-09-01 20:02:08 UTC

NP-MRD ID

NP0141665

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one

Description

Brevioxime belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. (8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one is found in Penicillium brevicompactum. (8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one was first documented in 2005 (PMID: 16218678). Based on a literature review very few articles have been published on Brevioxime.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.8385    0.9107   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    0.4099   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6257    0.5306   -1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2251    0.0481   -1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -0.5649    0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -1.1280    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4886   -0.0797    0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416   -0.3623    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5336   -1.5233    0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8104   -2.8219    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0255   -1.5479    0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5706   -2.6853    0.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7996   -0.3711    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1780   -0.0822   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2655    1.4205   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8479    1.8029   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3784    2.7482   -1.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1755    3.5750   -1.8755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    0.8741    0.4810 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7526    0.7957    0.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0912    1.1552   -1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5058    0.1267    0.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7941    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1030   -0.0606    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0057    1.0159   -1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    0.9251   -1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1351   -0.6667   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5927   -1.4309    0.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1113    0.1484    1.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.5042    1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791   -1.9362   -0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7571    0.5208   -0.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729    0.6701    1.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -3.6251    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -2.9547    1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348   -3.1265   -0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6223   -0.5802   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7980   -0.3030    0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8542    1.6437   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6695    1.9345    0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7452    3.1150   -2.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067    1.1897    1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20  8  1  0
 19 13  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
 10 34  1  0
 10 35  1  0
 10 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 15 40  1  0
 18 41  1  0
 19 42  1  1
M  END


  Mrv1652309012222022D          

 20 21  0  0  0  0            999 V2000
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3570   -2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119   -3.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4189   -3.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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
 16 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0141665

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\CCCCC1=C(C)C(=O)N2CC\C(=N/O)C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-13-11(2)14(18)17-10-9-12(16-19)15(17)20-13/h3-4,15,19H,5-10H2,1-2H3/b4-3+,16-12+

> <INCHI_KEY>
CAWNVSRVNRWMNU-FHBNFOJPSA-N

> <FORMULA>
C15H22N2O3

> <MOLECULAR_WEIGHT>
278.352

> <EXACT_MASS>
278.163042576

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
31.579037171910745

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(8E)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-4H,6H,7H,8H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one

> <ALOGPS_LOGP>
2.22

> <JCHEM_LOGP>
2.532373415666666

> <ALOGPS_LOGS>
-2.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.088385982570673

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6433400926928202

> <JCHEM_POLAR_SURFACE_AREA>
62.13000000000001

> <JCHEM_REFRACTIVITY>
78.99250000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.62e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(8E)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6H,7H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one

> <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      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       6.668  -2.310   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       8.133  -1.834   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.038  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.133  -4.326   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       8.609  -5.791   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0      10.115  -6.111   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   20                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   13   20                                                  
CONECT   20   19    8                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂N₂O₃

Average Mass

278.3520 Da

Monoisotopic Mass

278.16304 Da

IUPAC Name

(8E)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-4H,6H,7H,8H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one

Traditional Name

(8E)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6H,7H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one

CAS Registry Number

Not Available

SMILES

C\C=C\CCCCC1=C(C)C(=O)N2CC\C(=N/O)C2O1

InChI Identifier

InChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-13-11(2)14(18)17-10-9-12(16-19)15(17)20-13/h3-4,15,19H,5-10H2,1-2H3/b4-3+,16-12+

InChI Key

CAWNVSRVNRWMNU-FHBNFOJPSA-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
Penicillium brevicompactum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolidines

Sub Class

Not Available

Direct Parent

Pyrrolidines

Alternative Parents

Substituents

Pyrrolidine
Tertiary carboxylic acid amide
Vinylogous ester
Carboxamide group
Lactam
Azacycle
Oxime
Carboxylic acid derivative
Oxacycle
Organic oxide
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Hydrocarbon derivative
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	2.22	ALOGPS
logP	2.53	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	10.09	ChemAxon
pKa (Strongest Basic)	-0.64	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	62.13 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	78.99 m³·mol⁻¹	ChemAxon
Polarizability	31.58 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00027956

Chemspider ID

8692131

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10516730

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cantin A, Lopez-Gresa MP, Gonzalez MC, Moya P, Miranda MA, Primo J, Romero V, Peris E, Estornell E: Novel inhibitors of the mitochondrial respiratory chain: oximes and pyrrolines isolated from Penicillium brevicompactum and synthetic analogues. J Agric Food Chem. 2005 Oct 19;53(21):8296-301. doi: 10.1021/jf058075f. [PubMed:16218678 ]
LOTUS database [Link]

Showing NP-Card for (8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one (NP0141665)

MOL for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

3D MOL for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

3D SDF for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

3D-SDF for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

PDB for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

3D PDB for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

SMILES for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

INCHI for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

Structure for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)

3D Structure for NP0141665 ((8e)-2-[(5e)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6h,7h,8ah-pyrrolo[2,1-b][1,3]oxazin-4-one)