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Showing metabocard for Oct-trans-2-en-1-ol (HMDB0302352)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 17:07:35 UTC
Update Date2021-09-23 17:07:35 UTC
HMDB IDHMDB0302352
Secondary Accession NumbersNone
Metabolite Identification
Common NameOct-trans-2-en-1-ol
DescriptionOct-trans-2-en-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, oct-trans-2-en-1-ol is considered to be a fatty alcohol lipid molecule. Oct-trans-2-en-1-ol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Oct-trans-2-en-1-ol can be found in corn, oat, and watermelon, which makes oct-trans-2-en-1-ol a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302352 (Oct-trans-2-en-1-ol)


  Mrv1533007301516532D          

 11 10  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
Download

3D MOL for HMDB0302352 (Oct-trans-2-en-1-ol)

HMDB0302352
     RDKit          3D
Oct-trans-2-en-1-ol
 25 24  0  0  0  0  0  0  0  0999 V2000
    3.2570   -1.2088   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    0.0546    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770    0.8162    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0151    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    0.8662    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391    0.2061    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6045    0.0193   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9317   -0.6371   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9221    0.2807   -0.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2904   -1.5874   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652   -1.0026   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637   -1.9862    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -0.0862    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    0.6865    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824    1.1448   -0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    1.7025    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -0.9135   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -0.2772    1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    1.2718   -0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858    1.7595    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.1099    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3785    0.3403   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1011   -0.8575    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0734   -1.5216   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530    1.0244    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
M  END
Download

3D SDF for HMDB0302352 (Oct-trans-2-en-1-ol)


  Mrv1533007301516532D          

 11 10  0  0  0  0            999 V2000
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954   -0.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302352

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CO)=C(\[H])CCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+

> <INCHI_KEY>
AYQPVPFZWIQERS-VOTSOKGWSA-N

> <FORMULA>
C8H16O

> <MOLECULAR_WEIGHT>
128.215

> <EXACT_MASS>
128.120115135

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
16.560777455169333

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-oct-2-en-1-ol

> <ALOGPS_LOGP>
2.89

> <JCHEM_LOGP>
2.3775824093333333

> <ALOGPS_LOGS>
-2.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.081474081720494

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3257632366554546

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
41.5015

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-oct-2-en-1-ol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302352 (Oct-trans-2-en-1-ol)

HMDB0302352
     RDKit          3D
Oct-trans-2-en-1-ol
 25 24  0  0  0  0  0  0  0  0999 V2000
    3.2570   -1.2088   -0.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    0.0546    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770    0.8162    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0151    0.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4541    0.8662    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391    0.2061    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6045    0.0193   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9317   -0.6371   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9221    0.2807   -0.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2904   -1.5874   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7652   -1.0026   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637   -1.9862    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -0.0862    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859    0.6865    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824    1.1448   -0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847    1.7025    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -0.9135   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -0.2772    1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119    1.2718   -0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858    1.7595    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9624   -0.1099    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3785    0.3403   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1011   -0.8575    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0734   -1.5216   -0.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8530    1.0244    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
M  END
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PDB for HMDB0302352 (Oct-trans-2-en-1-ol)

HEADER    PROTEIN                                 30-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUL-15         0                                  
HETATM    1  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.311   2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.645   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.978   2.104   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.978   3.644   0.000  0.00  0.00           O+0
HETATM   10  H   UNK     0       6.311   3.644   0.000  0.00  0.00           H+0
HETATM   11  H   UNK     0       7.645  -0.206   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    6                                                            
CONECT   11    7                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0302352 (Oct-trans-2-en-1-ol)

COMPND    HMDB0302352
HETATM    1  C1  UNL     1       3.257  -1.209  -0.337  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.253   0.055   0.469  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.977   0.816   0.206  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.746   0.015   0.580  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.454   0.866   0.277  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.739   0.206   0.596  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.605   0.019  -0.391  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.932  -0.637  -0.180  1.00  0.00           C  
HETATM    9  O1  UNL     1      -4.922   0.281  -0.547  1.00  0.00           O  
HETATM   10  H1  UNL     1       4.290  -1.587  -0.493  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.765  -1.003  -1.322  1.00  0.00           H  
HETATM   12  H3  UNL     1       2.664  -1.986   0.205  1.00  0.00           H  
HETATM   13  H4  UNL     1       3.391  -0.086   1.545  1.00  0.00           H  
HETATM   14  H5  UNL     1       4.086   0.687   0.108  1.00  0.00           H  
HETATM   15  H6  UNL     1       1.882   1.145  -0.838  1.00  0.00           H  
HETATM   16  H7  UNL     1       1.985   1.702   0.894  1.00  0.00           H  
HETATM   17  H8  UNL     1       0.778  -0.914  -0.016  1.00  0.00           H  
HETATM   18  H9  UNL     1       0.743  -0.277   1.639  1.00  0.00           H  
HETATM   19  H10 UNL     1      -0.412   1.272  -0.739  1.00  0.00           H  
HETATM   20  H11 UNL     1      -0.386   1.759   0.965  1.00  0.00           H  
HETATM   21  H12 UNL     1      -1.962  -0.110   1.590  1.00  0.00           H  
HETATM   22  H13 UNL     1      -2.378   0.340  -1.402  1.00  0.00           H  
HETATM   23  H14 UNL     1      -4.101  -0.857   0.899  1.00  0.00           H  
HETATM   24  H15 UNL     1      -4.073  -1.522  -0.823  1.00  0.00           H  
HETATM   25  H16 UNL     1      -4.853   1.024   0.109  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4   15   16
CONECT    4    5   17   18
CONECT    5    6   19   20
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9   23   24
CONECT    9   25
END
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SMILES for HMDB0302352 (Oct-trans-2-en-1-ol)

[H]\C(CO)=C(\[H])CCCCC
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INCHI for HMDB0302352 (Oct-trans-2-en-1-ol)

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(e)-2-OctenolChEBI
(e)-Oct-2-enolChEBI
trans-2-Octen-1-olChEBI
trans-Oct-2-en-1-olChEBI
Chemical FormulaC8H16O
Average Molecular Weight128.215
Monoisotopic Molecular Weight128.120115135
IUPAC Name(2E)-oct-2-en-1-ol
Traditional Name(2E)-oct-2-en-1-ol
CAS Registry NumberNot Available
SMILES
[H]\C(CO)=C(\[H])CCCCC
InChI Identifier
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
InChI KeyAYQPVPFZWIQERS-VOTSOKGWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentFatty alcohols
Alternative Parents
Substituents
  • Fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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 SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP2.89ALOGPS
logP2.38ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)16.08ChemAxon
pKa (Strongest Basic)-2.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity41.5 m³·mol⁻¹ChemAxon
Polarizability16.56 ųChemAxon
Number of Rings0ChemAxon
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]+131.91932859911
AllCCS[M+H-H2O]+127.71932859911
AllCCS[M+Na]+136.96332859911
AllCCS[M+NH4]+135.83432859911
AllCCS[M-H]-136.08632859911
AllCCS[M+Na-2H]-138.82132859911
AllCCS[M+HCOO]-141.88232859911
DeepCCS[M+H]+137.23530932474
DeepCCS[M-H]-134.84930932474
DeepCCS[M-2H]-170.01330932474
DeepCCS[M+Na]+144.2730932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 10V, Positive-QTOFsplash10-03fr-1900000000-fedce33772cacafa9e222016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 20V, Positive-QTOFsplash10-03di-6900000000-e960b9c9d9a0c93b827b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 40V, Positive-QTOFsplash10-052f-9000000000-4713a4951d9f54daca752016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 10V, Negative-QTOFsplash10-004i-2900000000-dbeb18da728a3c1ef0a82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 20V, Negative-QTOFsplash10-004i-5900000000-13b1fdd52e2a4f9679782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 40V, Negative-QTOFsplash10-052g-9100000000-fd3f4f266369266ecd102016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 10V, Positive-QTOFsplash10-0api-9100000000-95ec3cc0fb8cb7072cc52021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 20V, Positive-QTOFsplash10-0aou-9000000000-33b257678623b26b54cd2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 40V, Positive-QTOFsplash10-0apl-9000000000-feea5069a343be1c7ee92021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 10V, Negative-QTOFsplash10-004i-0900000000-e8448bc978ba2df6edde2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 20V, Negative-QTOFsplash10-0a4i-2900000000-6a76a247b425d76985db2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oct-trans-2-en-1-ol 40V, Negative-QTOFsplash10-0gb9-9100000000-0b7e6a5d1be41420b2412021-10-21Wishart 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 IDFDB004240
KNApSAcK IDC00055580
Chemspider ID4477134
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID142616
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1048181
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available