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Showing metabocard for 1-nitrosonaphthalene (HMDB0062189)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-02-24 01:29:35 UTC
Update Date2023-02-21 17:30:40 UTC
HMDB IDHMDB0062189
Secondary Accession Numbers
  • HMDB62189
Metabolite Identification
Common Name1-nitrosonaphthalene
Description1-Nitrosonaphthalene belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-Nitrosonaphthalene is a moderately basic compound (based on its pKa).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0062189 (1-nitrosonaphthalene)


  Mrv1652302241702292D          

 12 13  0  0  0  0            999 V2000
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    2.1434   -0.4125    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   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0062189 (1-nitrosonaphthalene)

HMDB0062189
     RDKit          3D
1-nitrosonaphthalene
 19 20  0  0  0  0  0  0  0  0999 V2000
    1.0092    3.3180   -0.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384    2.4742    0.5032 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    1.0719    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3856    0.3265    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -1.0351    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.6395   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -0.8933   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.4917   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078   -0.7310   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3990    0.6323   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666    1.2173    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    0.4676    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3569    0.7947    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -1.6504    0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -2.7106   -0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062   -2.5606   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4959   -1.1793   -0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563    1.3025   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304    2.2867    0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 12  7  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END
Download

3D SDF for HMDB0062189 (1-nitrosonaphthalene)


  Mrv1652302241702292D          

 12 13  0  0  0  0            999 V2000
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    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
    2.1434   -0.4125    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   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062189

> <DATABASE_NAME>
hmdb

> <SMILES>
O=NC1=CC=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

> <INCHI_KEY>
HXOPMUIUKYURIC-UHFFFAOYSA-N

> <FORMULA>
C10H7NO

> <MOLECULAR_WEIGHT>
157.172

> <EXACT_MASS>
157.052763849

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
16.091442644237667

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-nitrosonaphthalene

> <ALOGPS_LOGP>
3.13

> <JCHEM_LOGP>
3.0404306363333333

> <ALOGPS_LOGS>
-3.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.0439218686201381

> <JCHEM_POLAR_SURFACE_AREA>
29.43

> <JCHEM_REFRACTIVITY>
48.0816

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-nitrosonaphthalene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0062189 (1-nitrosonaphthalene)

HMDB0062189
     RDKit          3D
1-nitrosonaphthalene
 19 20  0  0  0  0  0  0  0  0999 V2000
    1.0092    3.3180   -0.3495 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384    2.4742    0.5032 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    1.0719    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3856    0.3265    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -1.0351    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461   -1.6395   -0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -0.8933   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583   -1.4917   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078   -0.7310   -0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3990    0.6323   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1666    1.2173    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    0.4676    0.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3569    0.7947    0.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560   -1.6504    0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9566   -2.7106   -0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062   -2.5606   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4959   -1.1793   -0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563    1.3025   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304    2.2867    0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  3  1  0
 12  7  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END
Download

PDB for HMDB0062189 (1-nitrosonaphthalene)

HEADER    PROTEIN                                 24-FEB-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-17         0                                  
HETATM    1  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0       2.667  -4.620   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    3    7                                                  
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
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3D PDB for HMDB0062189 (1-nitrosonaphthalene)

COMPND    HMDB0062189
HETATM    1  O1  UNL     1       1.009   3.318  -0.349  1.00  0.00           O  
HETATM    2  N1  UNL     1       1.338   2.474   0.503  1.00  0.00           N  
HETATM    3  C1  UNL     1       1.226   1.072   0.313  1.00  0.00           C  
HETATM    4  C2  UNL     1       2.386   0.327   0.338  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.268  -1.035   0.153  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.046  -1.640  -0.051  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.130  -0.893  -0.079  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.358  -1.492  -0.283  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.508  -0.731  -0.305  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.399   0.632  -0.120  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.167   1.217   0.083  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.007   0.468   0.109  1.00  0.00           C  
HETATM   13  H1  UNL     1       3.357   0.795   0.499  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.156  -1.650   0.167  1.00  0.00           H  
HETATM   15  H3  UNL     1       0.957  -2.711  -0.197  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.406  -2.561  -0.424  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.496  -1.179  -0.465  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.256   1.302  -0.124  1.00  0.00           H  
HETATM   19  H7  UNL     1      -1.030   2.287   0.233  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3
CONECT    3    4    4   12
CONECT    4    5   13
CONECT    5    6    6   14
CONECT    6    7   15
CONECT    7    8    8   12
CONECT    8    9   16
CONECT    9   10   10   17
CONECT   10   11   18
CONECT   11   12   12   19
END
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SMILES for HMDB0062189 (1-nitrosonaphthalene)

O=NC1=CC=CC2=CC=CC=C12
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INCHI for HMDB0062189 (1-nitrosonaphthalene)

InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H7NO
Average Molecular Weight157.172
Monoisotopic Molecular Weight157.052763849
IUPAC Name1-nitrosonaphthalene
Traditional Name1-nitrosonaphthalene
CAS Registry Number21711-65-9
SMILES
O=NC1=CC=CC2=CC=CC=C12
InChI Identifier
InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChI KeyHXOPMUIUKYURIC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassNot Available
Direct ParentNaphthalenes
Alternative Parents
Substituents
  • Naphthalene
  • Organic nitroso compound
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • C-nitroso compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.028 g/lALOGPS
LogP3.13ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP3.13ALOGPS
logP3.04ChemAxon
logS-3.8ALOGPS
pKa (Strongest Basic)1.04ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area29.43 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity48.08 m³·mol⁻¹ChemAxon
Polarizability16.09 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-166.44130932474
DeepCCS[M+Na]+141.9830932474
AllCCS[M+H]+131.232859911
AllCCS[M+H-H2O]+126.532859911
AllCCS[M+NH4]+135.532859911
AllCCS[M+Na]+136.832859911
AllCCS[M-H]-128.832859911
AllCCS[M+Na-2H]-129.232859911
AllCCS[M+HCOO]-129.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-nitrosonaphthaleneO=NC1=CC=CC2=CC=CC=C122231.4Standard polar33892256
1-nitrosonaphthaleneO=NC1=CC=CC2=CC=CC=C121591.4Standard non polar33892256
1-nitrosonaphthaleneO=NC1=CC=CC2=CC=CC=C121532.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-nitrosonaphthalene GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a59-1900000000-19237804984a3af5f0cf2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-nitrosonaphthalene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-nitrosonaphthalene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 10V, Positive-QTOFsplash10-0a4i-0900000000-e12eb7cbe4b8beb31ba72017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 20V, Positive-QTOFsplash10-0a4i-0900000000-1f90be846275bd9bfcb22017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 40V, Positive-QTOFsplash10-0a59-0900000000-b23b9f1f164960a4b3572017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 10V, Negative-QTOFsplash10-0a4i-0900000000-423bb647a94f790784bc2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 20V, Negative-QTOFsplash10-0a4i-0900000000-e87c4b5813cc40a3438e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 40V, Negative-QTOFsplash10-0a4i-2900000000-263c5cd34853b1a18f492017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 10V, Negative-QTOFsplash10-0a4i-0900000000-2d3a92c044ee1c73c8ab2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 20V, Negative-QTOFsplash10-0a4i-0900000000-2d3a92c044ee1c73c8ab2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 40V, Negative-QTOFsplash10-0zi0-5900000000-b2d793ca34fad2f1b7b22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 10V, Positive-QTOFsplash10-0a4i-0900000000-90dc6153f8008f3252852021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 20V, Positive-QTOFsplash10-0a4i-0900000000-6b69eb840fd7e6ddcc9a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-nitrosonaphthalene 40V, Positive-QTOFsplash10-016r-9600000000-714ee15a7a459367d6d92021-09-22Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC14788
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound30767
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDM00548
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available