NP-MRD: Showing NP-Card for galvaquinone H (NP0353851)

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Record Information

Version

2.0

Created at

2026-03-09 14:07:33 UTC

Updated at

2026-04-24 08:05:52 UTC

NP-MRD ID

NP0353851

Natural Product DOI

https://doi.org/10.57994/8412

Secondary Accession Numbers

None

Natural Product Identification

Common Name

galvaquinone H

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04072311182D          

 25 28  0  0  0  0            999 V2000
    0.8101   -5.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802   -4.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2700   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5401   -1.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8101   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604   -3.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -3.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507   -2.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -1.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7806   -1.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5908   -3.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -3.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608   -4.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -4.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7806   -5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304   -5.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -4.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8903   -2.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 11 24  1  0  0  0  0
  2 24  1  0  0  0  0
 10 25  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353851

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1CC(=O)C2=C(C)C=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=C2O1

> <INCHI_IDENTIFIER>
InChI=1/C20H16O5/c1-3-10-8-14(22)15-9(2)7-12-17(20(15)25-10)19(24)16-11(18(12)23)5-4-6-13(16)21/h4-7,10,21H,3,8H2,1-2H3

> <INCHI_KEY>
BKUCIZNSBWGEKZ-UHFFFAOYNA-N

> <FORMULA>
C20H16O5

> <MOLECULAR_WEIGHT>
336.343

> <EXACT_MASS>
336.099773615

$$$$

HEADER    PROTEIN                                 07-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-APR-23         0                                  
HETATM    1  O   UNK     0       1.512  -9.943   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.016  -8.488   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.008  -7.324   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.512  -5.869   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.504  -4.705   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.008  -3.250   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.008  -4.996   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.512  -6.451   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.504  -7.615   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.024  -5.578   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.033  -6.742   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.545  -6.451   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.049  -4.996   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.561  -4.705   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.065  -3.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.057  -2.086   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.569  -5.869   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.553  -7.615   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.065  -7.324   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       9.073  -8.488   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.049  -9.070   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.057 -10.234   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.537  -9.361   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.529  -8.197   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.529  -4.123   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    3                                                       
CONECT   10    4   11   25                                                  
CONECT   11   10   12   24                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   19                                                       
CONECT   18   12   19   21                                                  
CONECT   19   18   17   20                                                  
CONECT   20   19                                                            
CONECT   21   18   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   11    2                                                  
CONECT   25   10                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₁₆O₅

Average Mass

336.3430 Da

Monoisotopic Mass

336.09977 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC1CC(=O)C2=C(C)C=C3C(=O)C4=C(C(O)=CC=C4)C(=O)C3=C2O1

InChI Identifier

InChI=1/C20H16O5/c1-3-10-8-14(22)15-9(2)7-12-17(20(15)25-10)19(24)16-11(18(12)23)5-4-6-13(16)21/h4-7,10,21H,3,8H2,1-2H3

InChI Key

BKUCIZNSBWGEKZ-UHFFFAOYNA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 700 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, CDCl3, experimental)	[email protected]	SCSIO	Lixiaohua	2026-03-09	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Micromonospora		Not Available

Chemical Taxonomy

Classification

Not classified

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

Not Available

References

General References

Showing NP-Card for galvaquinone H (NP0353851)

MOL for NP0353851 (galvaquinone H)

3D MOL for NP0353851 (galvaquinone H)

3D SDF for NP0353851 (galvaquinone H)

3D-SDF for NP0353851 (galvaquinone H)

PDB for NP0353851 (galvaquinone H)

3D PDB for NP0353851 (galvaquinone H)

SMILES for NP0353851 (galvaquinone H)

INCHI for NP0353851 (galvaquinone H)

Structure for NP0353851 (galvaquinone H)

3D Structure for NP0353851 (galvaquinone H)