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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:38:55 UTC

Update Date

2022-03-07 02:52:41 UTC

HMDB ID

HMDB0030769

Secondary Accession Numbers

HMDB30769

Metabolite Identification

Common Name

8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone

Description

8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone is found in fruits. Root constituent of Diospyros kaki (Japanese persimmon) Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially and organochloride insecticide

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 05061305292D          

 16 17  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  2  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030769

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3

> <INCHI_KEY>
KDBWUCIHUALFON-UHFFFAOYSA-N

> <FORMULA>
C12H10O4

> <MOLECULAR_WEIGHT>
218.2054

> <EXACT_MASS>
218.057908808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
21.6072590897265

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-hydroxy-2-methoxy-6-methyl-1,4-dihydronaphthalene-1,4-dione

> <ALOGPS_LOGP>
2.07

> <JCHEM_LOGP>
1.948343726333333

> <ALOGPS_LOGS>
-2.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.42867347222531

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.392597010389926

> <JCHEM_PKA_STRONGEST_BASIC>
-4.459982842609558

> <JCHEM_POLAR_SURFACE_AREA>
63.599999999999994

> <JCHEM_REFRACTIVITY>
59.92390000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.91e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2   16                                                            
CONECT    3    6    7                                                       
CONECT    4    6    9                                                       
CONECT    5    8   10                                                       
CONECT    6    1    3    4                                                  
CONECT    7    3    8   11                                                  
CONECT    8    5    7   13                                                  
CONECT    9    4   11   14                                                  
CONECT   10    5   12   16                                                  
CONECT   11    7    9   12                                                  
CONECT   12   10   11   15                                                  
CONECT   13    8                                                            
CONECT   14    9                                                            
CONECT   15   12                                                            
CONECT   16    2   10                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END

COMPND    HMDB0030769
HETATM    1  C1  UNL     1      -4.299   0.267  -0.540  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.690  -0.366   0.595  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.323  -0.587   0.554  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.789  -1.788   0.520  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.350  -1.987   0.478  1.00  0.00           C  
HETATM    6  O2  UNL     1       0.104  -3.172   0.446  1.00  0.00           O  
HETATM    7  C5  UNL     1       0.551  -0.851   0.473  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.926  -1.043   0.432  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.782   0.032   0.427  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.256  -0.168   0.384  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.221   1.270   0.463  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.844   1.532   0.504  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.407   2.821   0.537  1.00  0.00           O  
HETATM   14  C11 UNL     1       0.003   0.428   0.509  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.445   0.578   0.550  1.00  0.00           C  
HETATM   16  O4  UNL     1      -1.935   1.739   0.583  1.00  0.00           O  
HETATM   17  H1  UNL     1      -5.384   0.388  -0.392  1.00  0.00           H  
HETATM   18  H2  UNL     1      -4.126  -0.372  -1.431  1.00  0.00           H  
HETATM   19  H3  UNL     1      -3.878   1.297  -0.670  1.00  0.00           H  
HETATM   20  H4  UNL     1      -2.471  -2.650   0.524  1.00  0.00           H  
HETATM   21  H5  UNL     1       2.286  -2.072   0.405  1.00  0.00           H  
HETATM   22  H6  UNL     1       4.570  -1.070   0.948  1.00  0.00           H  
HETATM   23  H7  UNL     1       4.733   0.743   0.751  1.00  0.00           H  
HETATM   24  H8  UNL     1       4.596  -0.326  -0.679  1.00  0.00           H  
HETATM   25  H9  UNL     1       2.874   2.140   0.460  1.00  0.00           H  
HETATM   26  H10 UNL     1      -0.463   3.217   0.567  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3
CONECT    3    4    4   15
CONECT    4    5   20
CONECT    5    6    6    7
CONECT    7    8    8   14
CONECT    8    9   21
CONECT    9   10   11   11
CONECT   10   22   23   24
CONECT   11   12   25
CONECT   12   13   14   14
CONECT   13   26
CONECT   14   15
CONECT   15   16   16
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
3-Methoxy-7-methyljuglone	HMDB
8-Hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione, 9ci	HMDB

Chemical Formula

C₁₂H₁₀O₄

Average Molecular Weight

218.2054

Monoisotopic Molecular Weight

218.057908808

IUPAC Name

8-hydroxy-2-methoxy-6-methyl-1,4-dihydronaphthalene-1,4-dione

Traditional Name

8-hydroxy-2-methoxy-6-methylnaphthalene-1,4-dione

CAS Registry Number

1589-92-0

SMILES

COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O

InChI Identifier

InChI=1S/C12H10O4/c1-6-3-7-8(13)5-10(16-2)12(15)11(7)9(14)4-6/h3-5,14H,1-2H3

InChI Key

KDBWUCIHUALFON-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Naphthoquinone
Aryl ketone
Quinone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Vinylogous ester
Vinylogous acid
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030769)
Cytoplasm (HMDB: HMDB0030769)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030769)

Source

Endogenous

Endogenous (HMDB: HMDB0030769)

Plant

Plant (HMDB: HMDB0030769)

Exogenous

Food

Food (HMDB: HMDB0030769)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Fruit

Fruits (FooDB: FOOD00871)

Exogenous (HMDB: HMDB0030769)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	210 - 211 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.89 g/L	ALOGPS
logP	2.07	ALOGPS
logP	1.95	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	9.39	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	59.92 m³·mol⁻¹	ChemAxon
Polarizability	21.61 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	149.811	31661259
DarkChem	[M-H]-	151.341	31661259
DeepCCS	[M+H]+	151.231	30932474
DeepCCS	[M-H]-	148.873	30932474
DeepCCS	[M-2H]-	181.79	30932474
DeepCCS	[M+Na]+	157.325	30932474
AllCCS	[M+H]+	147.3	32859911
AllCCS	[M+H-H2O]+	143.2	32859911
AllCCS	[M+NH4]+	151.1	32859911
AllCCS	[M+Na]+	152.2	32859911
AllCCS	[M-H]-	149.0	32859911
AllCCS	[M+Na-2H]-	149.0	32859911
AllCCS	[M+HCOO]-	149.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone	COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O	2924.8	Standard polar	33892256
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone	COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O	1880.5	Standard non polar	33892256
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone	COC1=CC(=O)C2=C(C(O)=CC(C)=C2)C1=O	1908.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone,1TMS,isomer #1	COC1=CC(=O)C2=CC(C)=CC(O[Si](C)(C)C)=C2C1=O	2049.5	Semi standard non polar	33892256
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone,1TBDMS,isomer #1	COC1=CC(=O)C2=CC(C)=CC(O[Si](C)(C)C(C)(C)C)=C2C1=O	2295.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone GC-MS (Non-derivatized) - 70eV, Positive	splash10-02ec-0920000000-322b51b4df26b959b33c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone GC-MS (1 TMS) - 70eV, Positive	splash10-006t-1290000000-d4eb183ab9a4b98a4755	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 10V, Positive-QTOF	splash10-014i-0090000000-dc9e1c149d63cc89e231	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 20V, Positive-QTOF	splash10-014i-0390000000-b0042fc552ed8398dff3	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 40V, Positive-QTOF	splash10-052r-9500000000-19f09f8483d9bdf5d736	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 10V, Negative-QTOF	splash10-014i-0090000000-c2d5c899495bf3ec52d0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 20V, Negative-QTOF	splash10-014i-0090000000-f0a06ac77c5db684f63a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 40V, Negative-QTOF	splash10-0a59-8910000000-9d24fa143acdaed86e96	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 10V, Positive-QTOF	splash10-014i-0090000000-55cf6f961546fa5b9f24	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 20V, Positive-QTOF	splash10-014i-0190000000-71d37492b645f426e991	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 40V, Positive-QTOF	splash10-0cdu-4910000000-2fd60b7e327bbf7f4acb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 10V, Negative-QTOF	splash10-014i-0090000000-66db57e616ee76e4cc3f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 20V, Negative-QTOF	splash10-014i-0090000000-66db57e616ee76e4cc3f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone 40V, Negative-QTOF	splash10-0py1-4910000000-6518273d24ff62151eae	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB002704

KNApSAcK ID

C00043192

Chemspider ID

4440576

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5276616

PDB ID

Not Available

ChEBI ID

174105

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

REES BE, RALEY TG, DAVIS ED: Prehatiching treatment of irrigated lands with DDT, dichlorodiphenyl dichloroethane, and gammabenzene hexachloride for control of flood water mosquitoes. J Econ Entomol. 1949 Aug;42(4):586-90. [PubMed:18138195 ]
Lundstedt-Enkel K, Tysklind M, Trygg J, Schuller P, Asplund L, Eriksson U, Haggberg L, Odsjo T, Hjelmberg M, Olsson M, Orberg J: A statistical resampling method to calculate biomagnification factors exemplified with organochlorine data from herring (Clupea harengus) muscle and guillemot (Uria aalge) egg from the Baltic sea. Environ Sci Technol. 2005 Nov 1;39(21):8395-402. [PubMed:16294879 ]
Alm H, Torner H, Tiemann U, Kanitz W: Influence of organochlorine pesticides on maturation and postfertilization development of bovine oocytes in vitro. Reprod Toxicol. 1998 Sep-Oct;12(5):559-63. [PubMed:9763248 ]
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Showing metabocard for 8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone (HMDB0030769)

MOL for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

3D MOL for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

3D SDF for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

3D-SDF for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

PDB for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

3D PDB for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

SMILES for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

INCHI for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

Structure for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

3D Structure for HMDB0030769 (8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra