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Showing metabocard for 3,5,5,Trimethyl-2-hexene (HMDB0302638)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 19:19:35 UTC
Update Date2021-09-23 19:19:35 UTC
HMDB IDHMDB0302638
Secondary Accession NumbersNone
Metabolite Identification
Common Name3,5,5,Trimethyl-2-hexene
Description3,5,5,trimethyl-2-hexene is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. 3,5,5,trimethyl-2-hexene can be found in soy bean, which makes 3,5,5,trimethyl-2-hexene a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302638 (3,5,5,Trimethyl-2-hexene)


  Mrv0541 02241220492D          

  9  8  0  0  0  0            999 V2000
    0.1105   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
Download

3D MOL for HMDB0302638 (3,5,5,Trimethyl-2-hexene)

HMDB0302638
     RDKit          3D
3,5,5,Trimethyl-2-hexene
 27 26  0  0  0  0  0  0  0  0999 V2000
    3.3298   -0.9105    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708   -0.6418    0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242    0.1910    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401    0.8755   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1928    0.4428    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    0.1072    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159    0.4608    0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -1.3659   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710    0.8709   -1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082   -1.9627    0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3203   -0.8183   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965   -0.2565    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7301   -1.1854    1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9809    1.8059   -1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.1908   -1.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    1.1100   -0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367    1.5025    1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191   -0.1566    1.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264    0.1318    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245    1.5624    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264   -0.0003    1.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746   -2.0099    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   -1.5898   -1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -1.6190   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314    0.7383   -1.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077    1.9835   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    0.5434   -1.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
  9 27  1  0
M  END
Download

3D SDF for HMDB0302638 (3,5,5,Trimethyl-2-hexene)


  Mrv0541 02241220492D          

  9  8  0  0  0  0            999 V2000
    0.1105   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302638

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C=C(/C)CC(C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6H,7H2,1-5H3/b8-6+

> <INCHI_KEY>
MXAFMRHRWMAVRM-SOFGYWHQSA-N

> <FORMULA>
C9H18

> <MOLECULAR_WEIGHT>
126.2392

> <EXACT_MASS>
126.140850576

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
16.840707998894395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-3,5,5-trimethylhex-2-ene

> <ALOGPS_LOGP>
4.90

> <JCHEM_LOGP>
3.599643724

> <ALOGPS_LOGS>
-2.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
43.830499999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.75e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3,5,5-trimethylhex-2-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302638 (3,5,5,Trimethyl-2-hexene)

HMDB0302638
     RDKit          3D
3,5,5,Trimethyl-2-hexene
 27 26  0  0  0  0  0  0  0  0999 V2000
    3.3298   -0.9105    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9708   -0.6418    0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242    0.1910    0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5401    0.8755   -0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1928    0.4428    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3654    0.1072    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6159    0.4608    0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729   -1.3659   -0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710    0.8709   -1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6082   -1.9627    0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3203   -0.8183   -0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0965   -0.2565    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7301   -1.1854    1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9809    1.8059   -1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    0.1908   -1.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382    1.1100   -0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367    1.5025    1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3191   -0.1566    1.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5264    0.1318    0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245    1.5624    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264   -0.0003    1.9231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0746   -2.0099    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   -1.5898   -1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5538   -1.6190   -0.3195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314    0.7383   -1.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077    1.9835   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    0.5434   -1.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
  9 27  1  0
M  END
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PDB for HMDB0302638 (3,5,5,Trimethyl-2-hexene)

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       0.206  -3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.206  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.540  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.874  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.644  -0.564   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.207   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0302638 (3,5,5,Trimethyl-2-hexene)

COMPND    HMDB0302638
HETATM    1  C1  UNL     1       3.330  -0.910   0.395  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.971  -0.642   0.964  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.124   0.191   0.388  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.540   0.876  -0.859  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.193   0.443   0.955  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.365   0.107   0.095  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.616   0.461   0.918  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.473  -1.366  -0.212  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.471   0.871  -1.176  1.00  0.00           C  
HETATM   10  H1  UNL     1       3.608  -1.963   0.609  1.00  0.00           H  
HETATM   11  H2  UNL     1       3.320  -0.818  -0.713  1.00  0.00           H  
HETATM   12  H3  UNL     1       4.096  -0.257   0.855  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.730  -1.185   1.892  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.981   1.806  -1.061  1.00  0.00           H  
HETATM   15  H6  UNL     1       1.524   0.191  -1.744  1.00  0.00           H  
HETATM   16  H7  UNL     1       2.638   1.110  -0.725  1.00  0.00           H  
HETATM   17  H8  UNL     1      -0.337   1.502   1.297  1.00  0.00           H  
HETATM   18  H9  UNL     1      -0.319  -0.157   1.904  1.00  0.00           H  
HETATM   19  H10 UNL     1      -3.526   0.132   0.392  1.00  0.00           H  
HETATM   20  H11 UNL     1      -2.625   1.562   0.985  1.00  0.00           H  
HETATM   21  H12 UNL     1      -2.526  -0.000   1.923  1.00  0.00           H  
HETATM   22  H13 UNL     1      -1.075  -2.010   0.588  1.00  0.00           H  
HETATM   23  H14 UNL     1      -1.011  -1.590  -1.207  1.00  0.00           H  
HETATM   24  H15 UNL     1      -2.554  -1.619  -0.319  1.00  0.00           H  
HETATM   25  H16 UNL     1      -2.531   0.738  -1.546  1.00  0.00           H  
HETATM   26  H17 UNL     1      -1.408   1.984  -0.991  1.00  0.00           H  
HETATM   27  H18 UNL     1      -0.833   0.543  -1.991  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    3   13
CONECT    3    4    5
CONECT    4   14   15   16
CONECT    5    6   17   18
CONECT    6    7    8    9
CONECT    7   19   20   21
CONECT    8   22   23   24
CONECT    9   25   26   27
END
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SMILES for HMDB0302638 (3,5,5,Trimethyl-2-hexene)

C\C=C(/C)CC(C)(C)C
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INCHI for HMDB0302638 (3,5,5,Trimethyl-2-hexene)

InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6H,7H2,1-5H3/b8-6+
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC9H18
Average Molecular Weight126.2392
Monoisotopic Molecular Weight126.140850576
IUPAC Name(2E)-3,5,5-trimethylhex-2-ene
Traditional Name(2E)-3,5,5-trimethylhex-2-ene
CAS Registry NumberNot Available
SMILES
C\C=C(/C)CC(C)(C)C
InChI Identifier
InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6H,7H2,1-5H3/b8-6+
InChI KeyMXAFMRHRWMAVRM-SOFGYWHQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassBranched unsaturated hydrocarbons
Direct ParentBranched unsaturated hydrocarbons
Alternative Parents
Substituents
  • Branched unsaturated hydrocarbon
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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
logP4.9ALOGPS
logP3.6ChemAxon
logS-2.5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity43.83 m³·mol⁻¹ChemAxon
Polarizability16.84 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]+125.92132859911
AllCCS[M+H-H2O]+121.77132859911
AllCCS[M+Na]+130.90732859911
AllCCS[M+NH4]+129.7932859911
AllCCS[M-H]-126.93432859911
AllCCS[M+Na-2H]-129.72532859911
AllCCS[M+HCOO]-132.84332859911
DeepCCS[M+H]+137.21630932474
DeepCCS[M-H]-134.23430932474
DeepCCS[M-2H]-170.96630932474
DeepCCS[M+Na]+146.50430932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 10V, Positive-QTOFsplash10-004i-2900000000-bae24d914298e95940372016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 20V, Positive-QTOFsplash10-004i-6900000000-f2eb7ba2e5c697f5940f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 40V, Positive-QTOFsplash10-0a4i-9000000000-af9fabd978bff7723d882016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 10V, Negative-QTOFsplash10-004i-0900000000-4f7ae43b57456d880eef2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 20V, Negative-QTOFsplash10-004i-1900000000-e989bd6df2b5db75f3922016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 40V, Negative-QTOFsplash10-056s-9600000000-94c3b4878af0a9010c132016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 10V, Positive-QTOFsplash10-0a4i-9000000000-cdfcc0a389f4e37630862021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 20V, Positive-QTOFsplash10-0a4i-9000000000-1d2c354f5247aaee848b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 40V, Positive-QTOFsplash10-0a4l-9000000000-1540fd7d27dfba2445ac2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 10V, Negative-QTOFsplash10-004i-0900000000-65aa662f717a13bffce52021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 20V, Negative-QTOFsplash10-004i-0900000000-65aa662f717a13bffce52021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5,5,Trimethyl-2-hexene 40V, Negative-QTOFsplash10-0002-9300000000-a2abf93d883a936de6df2021-10-21Wishart 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 IDFDB005524
KNApSAcK IDNot Available
Chemspider ID4517150
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5365055
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