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Showing metabocard for p-Mentha-1,4-dien-7-al (HMDB0302599)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 19:01:38 UTC
Update Date2021-09-23 19:01:38 UTC
HMDB IDHMDB0302599
Secondary Accession NumbersNone
Metabolite Identification
Common Namep-Mentha-1,4-dien-7-al
DescriptionP-mentha-1,4-dien-7-al is a member of the class of compounds known as organic oxides. Organic oxides are organic compounds containing an oxide group. P-mentha-1,4-dien-7-al is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). P-mentha-1,4-dien-7-al can be found in cumin, which makes P-mentha-1,4-dien-7-al a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302599 (p-Mentha-1,4-dien-7-al)


  Mrv0541 02241221292D          

 11 11  0  0  0  0            999 V2000
    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
    0.7145    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
    1.4289    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
    0.0000   -1.6500    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  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  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
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
Download

3D MOL for HMDB0302599 (p-Mentha-1,4-dien-7-al)

HMDB0302599
     RDKit          3D
p-Mentha-1,4-dien-7-al
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.5872   -0.8569    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    0.2688    0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4563    0.8203   -0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032    0.0261    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529   -1.1065    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684   -1.3172   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376   -0.0927    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8656   -0.1537    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4714    0.9193    0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8213    1.0594    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953    1.2326   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514   -1.3396    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -0.4836    1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -1.6179    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647    1.1227    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    1.9172   -0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    0.4568   -1.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4824    0.4516   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206   -1.9757    0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -2.1860    0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7469   -1.5081   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022   -1.0679    0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    1.9509    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0124    2.1150    0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562    1.3648   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  8 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
M  END
Download

3D SDF for HMDB0302599 (p-Mentha-1,4-dien-7-al)


  Mrv0541 02241221292D          

 11 11  0  0  0  0            999 V2000
    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
    0.7145    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
    1.4289    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
    0.0000   -1.6500    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  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  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
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302599

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C1=CCC(C=O)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,6-8H,4-5H2,1-2H3

> <INCHI_KEY>
NIBUJHLMVJZODW-UHFFFAOYSA-N

> <FORMULA>
C10H14O

> <MOLECULAR_WEIGHT>
150.2176

> <EXACT_MASS>
150.10446507

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.703276422822334

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(propan-2-yl)cyclohexa-1,4-diene-1-carbaldehyde

> <ALOGPS_LOGP>
2.92

> <JCHEM_LOGP>
2.194955328

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.641638273417883

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
48.3446

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-isopropylcyclohexa-1,4-diene-1-carbaldehyde

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302599 (p-Mentha-1,4-dien-7-al)

HMDB0302599
     RDKit          3D
p-Mentha-1,4-dien-7-al
 25 25  0  0  0  0  0  0  0  0999 V2000
    2.5872   -0.8569    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    0.2688    0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4563    0.8203   -0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032    0.0261    0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529   -1.1065    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6684   -1.3172   -0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376   -0.0927    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8656   -0.1537    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4714    0.9193    0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8213    1.0594    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953    1.2326   -0.3465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514   -1.3396    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -0.4836    1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -1.6179    1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8647    1.1227    1.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    1.9172   -0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    0.4568   -1.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4824    0.4516   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206   -1.9757    0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -2.1860    0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7469   -1.5081   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4022   -1.0679    0.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    1.9509    0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0124    2.1150    0.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562    1.3648   -1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  7 10  2  0
 10 11  1  0
 11  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  8 22  1  0
 10 23  1  0
 11 24  1  0
 11 25  1  0
M  END
Download

PDB for HMDB0302599 (p-Mentha-1,4-dien-7-al)

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  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   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   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   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       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    7   11                                                       
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0302599 (p-Mentha-1,4-dien-7-al)

COMPND    HMDB0302599
HETATM    1  C1  UNL     1       2.587  -0.857   0.918  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.809   0.269   0.368  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.456   0.820  -0.910  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.403   0.026   0.077  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.253  -1.107   0.138  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.668  -1.317  -0.163  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.438  -0.093   0.108  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.866  -0.154   0.475  1.00  0.00           C  
HETATM    9  O1  UNL     1      -4.471   0.919   0.695  1.00  0.00           O  
HETATM   10  C9  UNL     1      -1.821   1.059   0.014  1.00  0.00           C  
HETATM   11  C10 UNL     1      -0.395   1.233  -0.346  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.151  -1.340   0.068  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.401  -0.484   1.603  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.050  -1.618   1.465  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.865   1.123   1.098  1.00  0.00           H  
HETATM   16  H5  UNL     1       2.410   1.917  -0.941  1.00  0.00           H  
HETATM   17  H6  UNL     1       1.871   0.457  -1.790  1.00  0.00           H  
HETATM   18  H7  UNL     1       3.482   0.452  -1.035  1.00  0.00           H  
HETATM   19  H8  UNL     1       0.321  -1.976   0.444  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.078  -2.186   0.402  1.00  0.00           H  
HETATM   21  H10 UNL     1      -1.747  -1.508  -1.272  1.00  0.00           H  
HETATM   22  H11 UNL     1      -4.402  -1.068   0.562  1.00  0.00           H  
HETATM   23  H12 UNL     1      -2.399   1.951   0.215  1.00  0.00           H  
HETATM   24  H13 UNL     1      -0.012   2.115   0.203  1.00  0.00           H  
HETATM   25  H14 UNL     1      -0.256   1.365  -1.433  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4   15
CONECT    3   16   17   18
CONECT    4    5    5   11
CONECT    5    6   19
CONECT    6    7   20   21
CONECT    7    8   10   10
CONECT    8    9    9   22
CONECT   10   11   23
CONECT   11   24   25
END
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SMILES for HMDB0302599 (p-Mentha-1,4-dien-7-al)

CC(C)C1=CCC(C=O)=CC1
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INCHI for HMDB0302599 (p-Mentha-1,4-dien-7-al)

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,6-8H,4-5H2,1-2H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H14O
Average Molecular Weight150.2176
Monoisotopic Molecular Weight150.10446507
IUPAC Name4-(propan-2-yl)cyclohexa-1,4-diene-1-carbaldehyde
Traditional Name4-isopropylcyclohexa-1,4-diene-1-carbaldehyde
CAS Registry NumberNot Available
SMILES
CC(C)C1=CCC(C=O)=CC1
InChI Identifier
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,6-8H,4-5H2,1-2H3
InChI KeyNIBUJHLMVJZODW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganic oxides
Sub ClassNot Available
Direct ParentOrganic oxides
Alternative Parents
Substituents
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aldehyde
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
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 SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP2.92ALOGPS
logP2.19ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity48.34 m³·mol⁻¹ChemAxon
Polarizability17.7 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+132.07732859911
AllCCS[M+H-H2O]+127.57632859911
AllCCS[M+Na]+137.48532859911
AllCCS[M+NH4]+136.27432859911
AllCCS[M-H]-135.87232859911
AllCCS[M+Na-2H]-137.33332859911
AllCCS[M+HCOO]-139.00832859911
DeepCCS[M+H]+136.75330932474
DeepCCS[M-H]-133.51530932474
DeepCCS[M-2H]-170.71630932474
DeepCCS[M+Na]+146.04130932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 10V, Positive-QTOFsplash10-0udi-1900000000-16a75ad7bf61932312712016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 20V, Positive-QTOFsplash10-0ue9-6900000000-4d2648434cee18cb97b72016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 40V, Positive-QTOFsplash10-0uyi-9100000000-a3b221c0d87f272f3baa2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 10V, Negative-QTOFsplash10-0002-0900000000-32f12a78b6966c8c35902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 20V, Negative-QTOFsplash10-0002-0900000000-3348b7852ec6a88e44ae2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 40V, Negative-QTOFsplash10-015a-4900000000-45d3c218049147682f092016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 10V, Positive-QTOFsplash10-0udl-3900000000-89450fbe106c88c25df52021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 20V, Positive-QTOFsplash10-0006-9200000000-fecddc70d0d104b6e4ae2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 40V, Positive-QTOFsplash10-0ftf-9000000000-548a26f066e23b5b9bf32021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 10V, Negative-QTOFsplash10-0002-0900000000-22917433edc8ad9dbc2e2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 20V, Negative-QTOFsplash10-0002-0900000000-45cf5feb6274bd4862b42021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - p-Mentha-1,4-dien-7-al 40V, Negative-QTOFsplash10-00pi-9200000000-530f447ce28c6d91750a2021-10-21Wishart 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 IDFDB005305
KNApSAcK IDNot Available
Chemspider ID4934489
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available