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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2007-01-22 23:21:34 UTC

Update Date

2023-02-21 17:17:08 UTC

HMDB ID

HMDB0005812

Secondary Accession Numbers

HMDB0005804
HMDB05804
HMDB05812

Metabolite Identification

Common Name

Geraniol

Description

Geraniol, also known as beta-Geraniol, (E)-nerol (the isomer of nerol) or geranyl alcohol, is a monoterpenoid alcohol. It belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. In plants, the biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in the plastids (PMID:7640522 ). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. beta-Geraniol is an isoprenoid lipid molecule that is very hydrophobic, practically insoluble in water, and relatively neutral. beta-Geraniol has a sweet, citrus, and floral taste. beta-Geraniol is found in highest concentrations in common grapes, black walnuts, and common thymes and in lower concentrations in cardamoms, common oregano, and gingers. beta-Geraniol has also been detected in lemon verbena, oval-leaf huckleberries, common pea, sweet cherries, and nopals. It is found as an alcohol and as its ester in many essential oils including geranium oil. It is the primary part of rose oil, palmarosa oil, and citronella oil (Java type) and occurs in small quantities in geranium, lemon, and many other essential oils. Because it has a rose-like odor, it is commonly used in perfumes. It is used to create flavors such as peach, raspberry, grapefruit, red apple, plum, lime, orange, lemon, watermelon, pineapple, and blueberry. An alternate application has been found in the use of insect repellents or deterrants. Though it may repel mosquitoes, flies, lice, cockroaches, ants, and ticks, it is also produced by the scent glands of honey bees to help them mark nectar-bearing flowers and locate the entrances to their hives (http//doi:10.1051/apido:19900403). Extensive testing by Dr. Jerry Butler at the University of Florida has shown geraniol to be one of nature's most effective insect repellents (PMID:20836800 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0005812
     RDKit          3D
Geraniol
 29 28  0  0  0  0  0  0  0  0999 V2000
    3.8661   -1.4581    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.5100    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0433    0.9377    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -0.9443    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -0.0281    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -0.1828   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802    0.7139   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    2.2254   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0053    0.2786   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -1.1495   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -1.3349   -1.2006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4581   -1.0816   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327   -2.4761   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -1.4623    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    1.4211    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    1.1268    0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6196    1.4972   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -2.0076    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -0.2367    1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.0092    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -1.2263   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    0.1425   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    2.5411    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4039    2.7021   -0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393    2.4480   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107    1.0513    0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -1.8695   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0373   -1.4010    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -0.7262   -1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

HMDB0005812
     RDKit          3D
Geraniol
 29 28  0  0  0  0  0  0  0  0999 V2000
    3.8661   -1.4581    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.5100    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0433    0.9377    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -0.9443    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -0.0281    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -0.1828   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802    0.7139   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    2.2254   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0053    0.2786   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -1.1495   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -1.3349   -1.2006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4581   -1.0816   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327   -2.4761   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -1.4623    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    1.4211    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    1.1268    0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6196    1.4972   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -2.0076    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -0.2367    1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.0092    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -1.2263   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    0.1425   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    2.5411    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4039    2.7021   -0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393    2.4480   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107    1.0513    0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -1.8695   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0373   -1.4010    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -0.7262   -1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

COMPND    HMDB0005812
HETATM    1  C1  UNL     1       3.866  -1.458   0.211  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.756  -0.510   0.420  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.043   0.938   0.487  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.526  -0.944   0.546  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.376  -0.028   0.757  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.623  -0.183  -0.379  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.780   0.714  -0.201  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.556   2.225  -0.154  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.005   0.279  -0.081  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.370  -1.149  -0.108  1.00  0.00           C  
HETATM   11  O1  UNL     1      -4.261  -1.335  -1.201  1.00  0.00           O  
HETATM   12  H1  UNL     1       4.458  -1.082  -0.662  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.533  -2.476  -0.041  1.00  0.00           H  
HETATM   14  H3  UNL     1       4.583  -1.462   1.073  1.00  0.00           H  
HETATM   15  H4  UNL     1       2.633   1.421   1.404  1.00  0.00           H  
HETATM   16  H5  UNL     1       4.154   1.127   0.542  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.620   1.497  -0.386  1.00  0.00           H  
HETATM   18  H7  UNL     1       1.337  -2.008   0.493  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.122  -0.237   1.727  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.744   1.009   0.734  1.00  0.00           H  
HETATM   21  H10 UNL     1      -0.863  -1.226  -0.590  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.051   0.143  -1.320  1.00  0.00           H  
HETATM   23  H12 UNL     1      -1.493   2.541   0.897  1.00  0.00           H  
HETATM   24  H13 UNL     1      -2.404   2.702  -0.686  1.00  0.00           H  
HETATM   25  H14 UNL     1      -0.639   2.448  -0.699  1.00  0.00           H  
HETATM   26  H15 UNL     1      -3.811   1.051   0.049  1.00  0.00           H  
HETATM   27  H16 UNL     1      -2.579  -1.869  -0.220  1.00  0.00           H  
HETATM   28  H17 UNL     1      -4.037  -1.401   0.786  1.00  0.00           H  
HETATM   29  H18 UNL     1      -5.033  -0.726  -1.083  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4    4
CONECT    3   15   16   17
CONECT    4    5   18
CONECT    5    6   19   20
CONECT    6    7   21   22
CONECT    7    8    9    9
CONECT    8   23   24   25
CONECT    9   10   26
CONECT   10   11   27   28
CONECT   11   29
END

HMDB0005812
     RDKit          3D
Geraniol
 29 28  0  0  0  0  0  0  0  0999 V2000
    3.8661   -1.4581    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -0.5100    0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0433    0.9377    0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -0.9443    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -0.0281    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -0.1828   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7802    0.7139   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    2.2254   -0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0053    0.2786   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -1.1495   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -1.3349   -1.2006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4581   -1.0816   -0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327   -2.4761   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -1.4623    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6326    1.4211    1.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    1.1268    0.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6196    1.4972   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -2.0076    0.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -0.2367    1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7443    1.0092    0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8632   -1.2263   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    0.1425   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931    2.5411    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4039    2.7021   -0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6393    2.4480   -0.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8107    1.0513    0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -1.8695   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0373   -1.4010    0.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333   -0.7262   -1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  8 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(2Z)-3,7-Dimethyl-2,6-octadien-1-ol	ChEBI
(Z)-3,7-Dimethyl-2,6-octadien-1-ol	ChEBI
(Z)-3,7-Dimethylocta-2,6-dien-1-ol	ChEBI
(Z)-Geraniol	ChEBI
2-cis-3,7-Dimethyl-2,6-octadien-1-ol	ChEBI
cis-3,7-Dimethyl-2,6-octadien-1-ol	ChEBI
cis-Geraniol	ChEBI
Neryl alcohol	ChEBI
Geraniol, (e)-isomer	MeSH
Geraniol, (Z)-isomer	MeSH
Geraniol, 1-(14)C-labeled, (e)-isomer	MeSH
Geraniol, 2-(14)C-labeled, (e)-isomer	MeSH
Geraniol, titanium (4+) salt	MeSH
(2E)3,7-Dimethyl-2,6-octadien-1-ol	HMDB
(2Z)3,7-Dimethyl-2,6-octadien-1-ol	HMDB
(cis)3,7-Dimethyl-2,6-octadien-1-ol	HMDB
(e)3,7-Dimethyl-2,6-octadien-1-ol	HMDB
(e)3,7-Dimethyl-octadien-1-ol	HMDB
(Z)3,7-Dimethyl-2,6-octadien-1-ol	HMDB
2,6-Dimethyl-trans-2,6-octadien-8-ol	HMDB
2-trans-3,7-Dimethyl-2,6-octadien-1-ol	HMDB
2-trans-3,7-Dimethyl-2,6-octadiene-1-ol	HMDB
2E-Geraniol	HMDB
3,7-Dimethyl-2,6-octadien-1-ol	HMDB
3,7-Dimethyl-octane-1-ol tetrahydro derivative	HMDB
3,7-Dimethyl-trans-2, 6-octadien-1-ol	HMDB
3,7-Dimethylocta-2,6-dien-1-ol	HMDB
beta-Geraniol	HMDB
Geraniol (natural)	HMDB
Geraniol alcohol	HMDB
Geranyl alcohol	HMDB
Guaniol	HMDB
Lemonol	HMDB
Nerol	HMDB
Nerol (natural)	HMDB
Nerolidyl diphosphate	HMDB
trans-3,7-Dimethyl-2,6-octadien-1-ol	HMDB
trans-Geraniol	HMDB
Vernol	HMDB
Geraniol	MeSH
(Z)-3,7-Dimethyl-2,6-octadienol	PhytoBank
(Z)-3,7-Dimethyloct-2,6-diene-1-ol	PhytoBank
(Z)-Nerol	PhytoBank
3,7-Dimethyl-cis-2,6-octadien-1-ol	PhytoBank
cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene	PhytoBank
beta-Nerol	PhytoBank
β-Nerol	PhytoBank

Chemical Formula

C₁₀H₁₈O

Average Molecular Weight

154.253

Monoisotopic Molecular Weight

154.1357652

IUPAC Name

(2Z)-3,7-dimethylocta-2,6-dien-1-ol

Traditional Name

nerol

CAS Registry Number

106-25-2

SMILES

CC(C)=CCC\C(C)=C/CO

InChI Identifier

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-

InChI Key

GLZPCOQZEFWAFX-YFHOEESVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Acyclic monoterpenoids

Alternative Parents

Substituents

Acyclic monoterpenoid
Fatty alcohol
Fatty acyl
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

3,7-dimethylocta-2,6-dien-1-ol (CHEBI:29452 )
Acyclic monoterpenoids (C09871 )
Linear monoterpenes (C09871 )
Acyclic monoterpenoids (LMPR0102010010 )

Ontology

Sweet

Disposition

Biological location

Cellular substructure

Non-excretory biofluid

Biofluid or Excreta

Saliva (PMID: 20809147)

Excreta

Biofluid or Excreta

Feces (PMID: 24130822)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0005812)

Source

Exogenous

Exogenous (HMDB: HMDB0005812)

Food

Food (HMDB: HMDB0005812)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Bilberry (FooDB: FOOD00193)
Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Loganberry (FooDB: FOOD00400)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Common grape (FooDB: FOOD00204)
Strawberry guava (FooDB: FOOD00482)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Evergreen blackberry (FooDB: FOOD00901)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Grapefruit (FooDB: FOOD00256)
Lemon (FooDB: FOOD00054)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Cereal and cereal product

Other bread

Other bread (FooDB: FOOD00269)

Cereal

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Calabash (FooDB: FOOD00318)
Towel gourd (FooDB: FOOD00492)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Synthetic

Personal care products

Personal care products (HMDB: HMDB0005812)

Endogenous

Endogenous (HMDB: HMDB0005812)

Plant

Animal

Animal (HMDB: HMDB0005812)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0005812)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0005812)

Lipid metabolism pathway (HMDB: HMDB0005812)

Cellular process

Cell signaling (HMDB: HMDB0005812)

Biochemical process

Lipid transport (HMDB: HMDB0005812)

Role

Industrial application

Personal care product

Personal care product (HMDB: HMDB0005812)

Agriculture

Pesticide

Pesticide (HMDB: HMDB0005812)

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0005812)

Coloring agent

Fluorescent agent

Expectorant (HMDB: HMDB0005812)
Sedative (HMDB: HMDB0005812)

Pharmaceutical industry

Antineoplastic agent

Antitumor (HMDB: HMDB0005812)
Cancer preventive (HMDB: HMDB0005812)

Antimicrobial agent

Ascaricide (HMDB: HMDB0005812)

Central nervous system stimulant (HMDB: HMDB0005812)
Fragrance (HMDB: HMDB0005812)

Food and nutrition

Food additive

Flavoring agent

Flavor (HMDB: HMDB0005812)
Flavoring Agent (HMDB: HMDB0005812)

Biological role

Physical Properties

State

Liquid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	< -15 °C	Not Available
Boiling Point	103.00 to 105.00 °C. @ 9.00 mm Hg	The Good Scents Company Information System
Water Solubility	0.53 mg/mL at 25 °C	Not Available
LogP	3.47	GRIFFIN,S ET AL. (1999)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.37 g/L	ALOGPS
logP	2.89	ALOGPS
logP	2.5	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	16.33	ChemAxon
pKa (Strongest Basic)	-2.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	51.18 m³·mol⁻¹	ChemAxon
Polarizability	19.29 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	138.572	31661259
DarkChem	[M-H]-	132.308	31661259
DeepCCS	[M+H]+	140.667	30932474
DeepCCS	[M-H]-	137.875	30932474
DeepCCS	[M-2H]-	174.446	30932474
DeepCCS	[M+Na]+	149.856	30932474
AllCCS	[M+H]+	136.7	32859911
AllCCS	[M+H-H2O]+	132.7	32859911
AllCCS	[M+NH4]+	140.5	32859911
AllCCS	[M+Na]+	141.6	32859911
AllCCS	[M-H]-	137.7	32859911
AllCCS	[M+Na-2H]-	139.7	32859911
AllCCS	[M+HCOO]-	142.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Geraniol	CC(C)=CCC\C(C)=C/CO	1835.5	Standard polar	33892256
Geraniol	CC(C)=CCC\C(C)=C/CO	1226.4	Standard non polar	33892256
Geraniol	CC(C)=CCC\C(C)=C/CO	1249.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Geraniol,1TMS,isomer #1	CC(C)=CCC/C(C)=C\CO[Si](C)(C)C	1341.9	Semi standard non polar	33892256
Geraniol,1TBDMS,isomer #1	CC(C)=CCC/C(C)=C\CO[Si](C)(C)C(C)(C)C	1559.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-014l-9000000000-8132ea67e057a3dd9c80	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-014l-9100000000-a5bdece739d0cb5bf629	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-015c-9200000000-eea073073c86ea4d9a38	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-0006-9000000000-0625da1bcd5a7d1938a6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-014l-9000000000-41e0055b618413366b81	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-014l-9000000000-8132ea67e057a3dd9c80	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-014l-9100000000-a5bdece739d0cb5bf629	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-015c-9200000000-eea073073c86ea4d9a38	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-0006-9000000000-0625da1bcd5a7d1938a6	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol EI-B (Non-derivatized)	splash10-014l-9000000000-41e0055b618413366b81	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Geraniol GC-EI-Q (Non-derivatized)	splash10-014l-9000000000-2ab93357dd27a7c07eb7	2020-07-08	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Geraniol GC-MS (Non-derivatized) - 70eV, Positive	splash10-014u-9300000000-c85bc4c928fbf7d824e8	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Geraniol GC-MS (1 TMS) - 70eV, Positive	splash10-030c-9520000000-69b7fbbb25764f7b612e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Geraniol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-001r-9600000000-69c0de28e07b8b530c9a	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-001i-9100000000-0ee3622152359826448f	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-003r-9000000000-d5bb693fadd752735f31	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol EI-B (HITACHI RMU-6M) , Positive-QTOF	splash10-014l-9000000000-8132ea67e057a3dd9c80	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol EI-B (HITACHI RMU-6M) , Positive-QTOF	splash10-014l-9100000000-a5bdece739d0cb5bf629	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol EI-B (HITACHI RMU-6M) , Positive-QTOF	splash10-015c-9200000000-eea073073c86ea4d9a38	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol EI-B (SHIMADZU QP-1000) , Positive-QTOF	splash10-0006-9000000000-0625da1bcd5a7d1938a6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol EI-B (HITACHI M-80B) , Positive-QTOF	splash10-014l-9000000000-7b5a5cfbbe0b42fdd23e	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Geraniol n/a 10V, negative-QTOF	splash10-0a4i-0900000000-73a127efb4137eb42580	2020-07-21	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 10V, Positive-QTOF	splash10-0a4r-1900000000-3d437630e5bec67a7e07	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 20V, Positive-QTOF	splash10-052r-8900000000-0e505c85cec6344cab5c	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 40V, Positive-QTOF	splash10-0gb9-9100000000-c7400df359a9559bd594	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 10V, Negative-QTOF	splash10-0udi-0900000000-113756054eed13d33ee4	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 20V, Negative-QTOF	splash10-0fk9-0900000000-dea43b41c5b791cef9d2	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 40V, Negative-QTOF	splash10-0aou-9800000000-c028a2bd655026094251	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 10V, Positive-QTOF	splash10-00lr-9100000000-6e205fbbb6213cf2eb8c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 20V, Positive-QTOF	splash10-001i-9000000000-a55b9b951ba285782da9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 40V, Positive-QTOF	splash10-00kf-9000000000-29f4b3188008e31f7b9f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 10V, Negative-QTOF	splash10-0udi-0900000000-d3a143bdeacdf3ef0e94	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 20V, Negative-QTOF	splash10-00di-0900000000-f29389e574ed8f84a683	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Geraniol 40V, Negative-QTOF	splash10-014i-9100000000-1a426588f258e723527c	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Feces
Saliva

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	24922509	details
Feces	Detected but not Quantified	Not Quantified	Children (1-13 years old)	Both	Normal	24130822	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Not Specified	Normal	24421258	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	20809147	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Immunoglobulin A nephropathy (IgAN) non progressor	24922509	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Immunoglobulin A nephropathy (IgAN) progressor	24922509	details
Feces	Detected but not Quantified	Not Quantified	Children (1-13 years old)	Both	autism	24130822	details
Feces	Detected but not Quantified	Not Quantified	Children (1-13 years old)	Both	Pervasive Developmental Disorder Not Otherwise Specified	24130822	details

Associated Disorders and Diseases

Disease References

Autism
De Angelis M, Piccolo M, Vannini L, Siragusa S, De Giacomo A, Serrazzanetti DI, Cristofori F, Guerzoni ME, Gobbetti M, Francavilla R: Fecal microbiota and metabolome of children with autism and pervasive developmental disorder not otherwise specified. PLoS One. 2013 Oct 9;8(10):e76993. doi: 10.1371/journal.pone.0076993. eCollection 2013. [PubMed:24130822 ]
Pervasive developmental disorder not otherwise specified
De Angelis M, Piccolo M, Vannini L, Siragusa S, De Giacomo A, Serrazzanetti DI, Cristofori F, Guerzoni ME, Gobbetti M, Francavilla R: Fecal microbiota and metabolome of children with autism and pervasive developmental disorder not otherwise specified. PLoS One. 2013 Oct 9;8(10):e76993. doi: 10.1371/journal.pone.0076993. eCollection 2013. [PubMed:24130822 ]

Associated OMIM IDs

209850 (Autism)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Nerol

METLIN ID

Not Available

PubChem Compound

643820

PDB ID

Not Available

ChEBI ID

29452

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1008952

References

Synthesis Reference

Verley, A. Nerol. (1919), GB 127575 19190521 CAN 13:12091 AN 1919:12091

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

McGarvey DJ, Croteau R: Terpenoid metabolism. Plant Cell. 1995 Jul;7(7):1015-26. doi: 10.1105/tpc.7.7.1015. [PubMed:7640522 ]
Muller GC, Junnila A, Butler J, Kravchenko VD, Revay EE, Weiss RW, Schlein Y: Efficacy of the botanical repellents geraniol, linalool, and citronella against mosquitoes. J Vector Ecol. 2009 Jun;34(1):2-8. doi: 10.1111/j.1948-7134.2009.00002.x. [PubMed:20836800 ]

Showing metabocard for Geraniol (HMDB0005812)

MOL for HMDB0005812 (Geraniol)

3D MOL for HMDB0005812 (Geraniol)

3D SDF for HMDB0005812 (Geraniol)

3D-SDF for HMDB0005812 (Geraniol)

PDB for HMDB0005812 (Geraniol)

3D PDB for HMDB0005812 (Geraniol)

SMILES for HMDB0005812 (Geraniol)

INCHI for HMDB0005812 (Geraniol)

Structure for HMDB0005812 (Geraniol)

3D Structure for HMDB0005812 (Geraniol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra