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Showing metabocard for Eucarvone (HMDB0302916)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 21:44:46 UTC
Update Date2021-09-23 21:44:49 UTC
HMDB IDHMDB0302916
Secondary Accession NumbersNone
Metabolite Identification
Common NameEucarvone
DescriptionEucarvone is a member of the class of compounds known as monocyclic monoterpenoids. Monocyclic monoterpenoids are monoterpenoids containing 1 ring in the isoprene chain. Eucarvone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Eucarvone can be found in blackcurrant, which makes eucarvone a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302916 (Eucarvone)


  Mrv0541 02241221102D          

 11 11  0  0  0  0            999 V2000
    2.5878    0.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566    1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3422    2.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    2.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -1.1874    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  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0302916 (Eucarvone)

HMDB0302916
     RDKit          3D
Eucarvone
 25 25  0  0  0  0  0  0  0  0999 V2000
    3.2423    0.7084    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918    0.0914    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424   -0.9141   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235   -1.6898   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -1.3222   -0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872   -0.1228    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -0.3665    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349    0.9890   -1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478    0.4028    1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8955    0.6044    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    1.4015    1.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    1.8123    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    0.3395    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    0.3515   -0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022   -1.1716   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5532   -2.6692   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -2.0920   -0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8584   -0.2135    1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4429    0.2786   -0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -1.4203    0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.6029   -2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5770    1.7693   -0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253    1.4980   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.2524    2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879    1.3848    1.4906 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
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
M  END
Download

3D SDF for HMDB0302916 (Eucarvone)


  Mrv0541 02241221102D          

 11 11  0  0  0  0            999 V2000
    2.5878    0.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703    0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566    1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3422    2.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    2.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -1.1874    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  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0302916

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3

> <INCHI_KEY>
QNGQIURXCUHNAT-UHFFFAOYSA-N

> <FORMULA>
C10H14O

> <MOLECULAR_WEIGHT>
150.2176

> <EXACT_MASS>
150.10446507

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.43264790177707

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6,6-trimethylcyclohepta-2,4-dien-1-one

> <ALOGPS_LOGP>
2.67

> <JCHEM_LOGP>
2.5512814683333334

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.556599714769079

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
48.439099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,6,6-trimethylcyclohepta-2,4-dien-1-one

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302916 (Eucarvone)

HMDB0302916
     RDKit          3D
Eucarvone
 25 25  0  0  0  0  0  0  0  0999 V2000
    3.2423    0.7084    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918    0.0914    0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424   -0.9141   -0.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235   -1.6898   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7977   -1.3222   -0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872   -0.1228    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7295   -0.3665    0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349    0.9890   -1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5478    0.4028    1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8955    0.6044    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826    1.4015    1.8809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2021    1.8123    0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    0.3395    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    0.3515   -0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5022   -1.1716   -1.3564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5532   -2.6692   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -2.0920   -0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8584   -0.2135    1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4429    0.2786   -0.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -1.4203    0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446    0.6029   -2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5770    1.7693   -0.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3253    1.4980   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6842   -0.2524    2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9879    1.3848    1.4906 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
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
M  END
Download

PDB for HMDB0302916 (Eucarvone)

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  O   UNK     0       4.831   0.032   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.329   0.375   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.369  -0.829   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.829  -0.829   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.131   0.375   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.211   1.877   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.599   2.545   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.639   3.749   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.559   3.749   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.986   1.877   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.037  -2.216   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7    2                                                       
CONECT   11    3                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0302916 (Eucarvone)

COMPND    HMDB0302916
HETATM    1  C1  UNL     1       3.242   0.708   0.113  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.892   0.091   0.116  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.642  -0.914  -0.734  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.424  -1.690  -0.940  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.798  -1.322  -0.595  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.287  -0.123   0.049  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.729  -0.366   0.489  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.335   0.989  -1.008  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.548   0.403   1.216  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.896   0.604   1.041  1.00  0.00           C  
HETATM   11  O1  UNL     1       1.383   1.402   1.881  1.00  0.00           O  
HETATM   12  H1  UNL     1       3.202   1.812   0.181  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.763   0.339   1.026  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.789   0.351  -0.785  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.502  -1.172  -1.356  1.00  0.00           H  
HETATM   16  H5  UNL     1       0.553  -2.669  -1.429  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.532  -2.092  -0.864  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.858  -0.214   1.581  1.00  0.00           H  
HETATM   19  H8  UNL     1      -3.443   0.279  -0.051  1.00  0.00           H  
HETATM   20  H9  UNL     1      -3.038  -1.420   0.296  1.00  0.00           H  
HETATM   21  H10 UNL     1      -1.145   0.603  -2.018  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.577   1.769  -0.796  1.00  0.00           H  
HETATM   23  H12 UNL     1      -2.325   1.498  -1.006  1.00  0.00           H  
HETATM   24  H13 UNL     1      -0.684  -0.252   2.102  1.00  0.00           H  
HETATM   25  H14 UNL     1      -0.988   1.385   1.491  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    3   10
CONECT    3    4   15
CONECT    4    5    5   16
CONECT    5    6   17
CONECT    6    7    8    9
CONECT    7   18   19   20
CONECT    8   21   22   23
CONECT    9   10   24   25
CONECT   10   11   11
END
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SMILES for HMDB0302916 (Eucarvone)

CC1=CC=CC(C)(C)CC1=O
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INCHI for HMDB0302916 (Eucarvone)

InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H14O
Average Molecular Weight150.2176
Monoisotopic Molecular Weight150.10446507
IUPAC Name2,6,6-trimethylcyclohepta-2,4-dien-1-one
Traditional Name2,6,6-trimethylcyclohepta-2,4-dien-1-one
CAS Registry NumberNot Available
SMILES
CC1=CC=CC(C)(C)CC1=O
InChI Identifier
InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3
InChI KeyQNGQIURXCUHNAT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentMonocyclic monoterpenoids
Alternative Parents
Substituents
  • Monocyclic monoterpenoid
  • Cyclic ketone
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic 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
logP2.67ALOGPS
logP2.55ChemAxon
logS-2.1ALOGPS
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity48.44 m³·mol⁻¹ChemAxon
Polarizability17.43 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]+128.52432859911
AllCCS[M+H-H2O]+123.91832859911
AllCCS[M+Na]+134.06232859911
AllCCS[M+NH4]+132.82232859911
AllCCS[M-H]-133.05232859911
AllCCS[M+Na-2H]-134.54532859911
AllCCS[M+HCOO]-136.25132859911
DeepCCS[M+H]+131.54230932474
DeepCCS[M-H]-127.71330932474
DeepCCS[M-2H]-164.73630932474
DeepCCS[M+Na]+140.27330932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Eucarvone,1TMS,isomer #1CC1=CC=CC(C)(C)C=C1O[Si](C)(C)C1369.0Semi standard non polar33892256
Eucarvone,1TMS,isomer #1CC1=CC=CC(C)(C)C=C1O[Si](C)(C)C1176.6Standard non polar33892256
Eucarvone,1TMS,isomer #1CC1=CC=CC(C)(C)C=C1O[Si](C)(C)C1662.3Standard polar33892256
Eucarvone,1TBDMS,isomer #1CC1=CC=CC(C)(C)C=C1O[Si](C)(C)C(C)(C)C1599.5Semi standard non polar33892256
Eucarvone,1TBDMS,isomer #1CC1=CC=CC(C)(C)C=C1O[Si](C)(C)C(C)(C)C1364.5Standard non polar33892256
Eucarvone,1TBDMS,isomer #1CC1=CC=CC(C)(C)C=C1O[Si](C)(C)C(C)(C)C1836.9Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 10V, Positive-QTOFsplash10-0udi-0900000000-64f719098c2419f385d02016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 20V, Positive-QTOFsplash10-0udi-2900000000-cbdffd67965485f5cb5e2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 40V, Positive-QTOFsplash10-0ldi-9100000000-7691a8f1fec4103bace32016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 10V, Negative-QTOFsplash10-0002-0900000000-eb21e73bb6d0686d47c12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 20V, Negative-QTOFsplash10-0002-0900000000-daf6490e4000e665727d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 40V, Negative-QTOFsplash10-014u-9500000000-a8f9247a35d3e75eea0e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 10V, Positive-QTOFsplash10-0udi-0900000000-30aa87fc0e494430d9e22021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 20V, Positive-QTOFsplash10-014l-9200000000-928d5055af98b195fd0c2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 40V, Positive-QTOFsplash10-014r-9000000000-9ec3f752223e6ded01f32021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 10V, Negative-QTOFsplash10-0002-0900000000-22917433edc8ad9dbc2e2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 20V, Negative-QTOFsplash10-0002-0900000000-5fb55fa9b785c85563252021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Eucarvone 40V, Negative-QTOFsplash10-001l-8900000000-74fc43e2078d1ef455392021-10-21Wishart 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 IDFDB006880
KNApSAcK IDC00011013
Chemspider ID120104
KEGG Compound IDC16955
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound136330
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1416661
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available