NP-MRD: Showing NP-Card for 3'-N'-Acetylfusarochromanone (NP0085294)

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Record Information

Version

2.0

Created at

2022-04-29 05:52:06 UTC

Updated at

2022-04-29 05:52:06 UTC

NP-MRD ID

NP0085294

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3'-N'-Acetylfusarochromanone

Description

3'-N'-Acetylfusarochromanone, also known as TDP 2, belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 3'-N'-Acetylfusarochromanone is found in Fusarium equiseti. 3'-N'-Acetylfusarochromanone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
   -3.2190    1.1424    2.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5919    0.1748    1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9731   -0.9822    1.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5153    0.5655   -0.1795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8674   -0.3412   -1.2275 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0479    0.1567   -2.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7674    1.3766   -2.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6971   -0.6595   -2.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6363   -1.2675   -1.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404   -2.4510   -0.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3811   -0.6394   -0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487    0.6521   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    1.2815   -0.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420    0.5826   -0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -0.7116    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572   -1.3195   -0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3228   -2.6589    0.2293 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -1.4108    0.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -2.4504    1.5637 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.9010    1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.5795    0.8928 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3267    1.2252    2.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5588    0.8578    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2218    1.1681    0.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9285    2.1086    1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1187    1.3165    2.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4371    0.6568    2.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959    1.5325   -0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1877   -1.3184   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9447    0.3077   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3364   -0.5874   -2.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2957    1.5315   -3.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3306    0.2407   -2.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1167   -1.3190   -2.9262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7406    1.2473   -1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    2.2993   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123   -3.4573   -0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0253   -2.8650    1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5143   -1.1926    2.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7304   -1.4777    0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7314    0.7007    3.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848    2.2899    2.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    1.1786    2.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3355    1.1453   -0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2278   -0.0267    0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754    1.7191    0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 24  1  0
 24 21  1  0
 21 22  1  1
 21 23  1  0
 21 20  1  0
 20 18  1  0
 18 19  2  0
 18 15  1  0
 15 16  2  0
 16 17  1  0
 16 11  1  0
 15 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  5 29  1  1
  6 30  1  0
  6 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
 12 35  1  0
 13 36  1  0
 22 41  1  0
 22 42  1  0
 22 43  1  0
 23 44  1  0
 23 45  1  0
 23 46  1  0
 20 39  1  0
 20 40  1  0
 17 37  1  0
 17 38  1  0
M  END


  Mrv0541 02241207562D          

 24 25  0  0  0  0            999 V2000
    0.7614    0.3204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    0.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029    0.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6813    2.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    3.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5209    3.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6010    3.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6010    2.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    2.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614    2.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    1.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -0.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813   -0.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397   -0.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397   -1.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614   -2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029   -1.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813   -2.1647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813   -3.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813   -3.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4831   -3.1269    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
  2 12  2  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0085294

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)NC(CO)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N

> <INCHI_IDENTIFIER>
InChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)

> <INCHI_KEY>
VXRAAUKUZQYZRW-UHFFFAOYSA-N

> <FORMULA>
C17H22N2O5

> <MOLECULAR_WEIGHT>
334.367

> <EXACT_MASS>
334.152871824

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
34.001917038097176

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide

> <ALOGPS_LOGP>
0.83

> <JCHEM_LOGP>
0.5388316403333333

> <ALOGPS_LOGS>
-2.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.870702420086616

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.21802712362221

> <JCHEM_PKA_STRONGEST_BASIC>
0.4957668123679366

> <JCHEM_POLAR_SURFACE_AREA>
118.72

> <JCHEM_REFRACTIVITY>
88.68990000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.83e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0       1.421   0.598   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.074   1.346   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.272   0.598   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.619   1.346   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.619   2.993   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.272   5.238   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.074   6.136   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.972   7.334   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.122   7.334   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.122   5.238   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.272   3.741   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.074   2.993   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.421   3.741   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.768   3.143   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -2.619  -1.646   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.272  -0.897   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.074  -1.646   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.074  -3.292   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.421  -3.891   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.619  -3.143   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      -1.272  -4.041   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -1.272  -5.837   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.272  -7.334   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.768  -5.837   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4   16                                                  
CONECT    4    3    5                                                       
CONECT    5    4   11                                                       
CONECT    6    7   13                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11    5   10   12                                                  
CONECT   12    2   11   13                                                  
CONECT   13    6   12   14                                                  
CONECT   14   13                                                            
CONECT   15   16                                                            
CONECT   16    3   15   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
TDP 2	HMDB
N-[4-(5-Amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]ethanimidate	Generator
TDP-2	MeSH

Chemical Formula

C₁₇H₂₂N₂O₅

Average Mass

334.3670 Da

Monoisotopic Mass

334.15287 Da

IUPAC Name

N-[4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide

Traditional Name

N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-1-benzopyran-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide

CAS Registry Number

Not Available

SMILES

CC(=O)NC(CO)CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N

InChI Identifier

InChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)

InChI Key

VXRAAUKUZQYZRW-UHFFFAOYSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Fusarium equiseti	Fungi	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

2,2-dimethyl-1-benzopyrans

Alternative Parents

Substituents

2,2-dimethyl-1-benzopyran
Butyrophenone
Chromone
Aryl ketone
Aryl alkyl ketone
Alkyl aryl ether
Benzenoid
Acetamide
Vinylogous amide
Amino acid or derivatives
Carboxamide group
Ketone
Secondary carboxylic acid amide
Ether
Carboxylic acid derivative
Oxacycle
Primary amine
Primary alcohol
Organooxygen compound
Organonitrogen compound
Amine
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
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	0.83	ALOGPS
logP	0.54	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	14.22	ChemAxon
pKa (Strongest Basic)	0.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	118.72 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	88.69 m³·mol⁻¹	ChemAxon
Polarizability	34 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

HMDB0037499

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016574

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

102571616

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3'-N'-Acetylfusarochromanone (NP0085294)

MOL for NP0085294 (3'-N'-Acetylfusarochromanone)

3D MOL for NP0085294 (3'-N'-Acetylfusarochromanone)

3D SDF for NP0085294 (3'-N'-Acetylfusarochromanone)

3D-SDF for NP0085294 (3'-N'-Acetylfusarochromanone)

PDB for NP0085294 (3'-N'-Acetylfusarochromanone)

3D PDB for NP0085294 (3'-N'-Acetylfusarochromanone)

SMILES for NP0085294 (3'-N'-Acetylfusarochromanone)

INCHI for NP0085294 (3'-N'-Acetylfusarochromanone)

Structure for NP0085294 (3'-N'-Acetylfusarochromanone)

3D Structure for NP0085294 (3'-N'-Acetylfusarochromanone)