MiMeDB: Showing metabocard for Ocimenol (MMDBc0033694)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:59:17 UTC

Update Date

2022-08-31 22:37:48 UTC

Metabolite ID

MMDBc0033694

Metabolite Identification

Common Name

Ocimenol

Description

Ocimenol belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Ocimenol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

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

HMDB0059881
     RDKit          3D
Ocimenol
 29 28  0  0  0  0  0  0  0  0999 V2000
    4.0194    0.9908    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624    0.8597    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -0.3014   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -1.3294   -0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -0.5117   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.3348   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827   -0.4331    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3592    0.2415    0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.6530   -0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385   -0.7517    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637    1.3232    1.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404    0.2446    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    1.8499    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    1.6315    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -2.1033   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -0.8382   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816   -1.7074    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9309   -1.4331   -1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423    1.2419   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    0.6716   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -1.3649   -0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -0.7672    1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926   -0.2653   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    1.2468   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496    1.2328   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -1.7706    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.6879    2.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3744   -0.4535    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    2.1967    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  9 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

HMDB0059881
     RDKit          3D
Ocimenol
 29 28  0  0  0  0  0  0  0  0999 V2000
    4.0194    0.9908    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624    0.8597    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -0.3014   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -1.3294   -0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -0.5117   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.3348   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827   -0.4331    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3592    0.2415    0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.6530   -0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385   -0.7517    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637    1.3232    1.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404    0.2446    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    1.8499    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    1.6315    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -2.1033   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -0.8382   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816   -1.7074    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9309   -1.4331   -1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423    1.2419   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    0.6716   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -1.3649   -0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -0.7672    1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926   -0.2653   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    1.2468   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496    1.2328   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -1.7706    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.6879    2.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3744   -0.4535    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    2.1967    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  9 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

COMPND    HMDB0059881
HETATM    1  C1  UNL     1       4.019   0.991   0.748  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.762   0.860   0.375  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.360  -0.301  -0.388  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.391  -1.329  -0.735  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.151  -0.512  -0.795  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.050   0.335  -0.592  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.083  -0.433   0.152  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.359   0.241   0.454  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.024   0.653  -0.874  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.339  -0.752   1.061  1.00  0.00           C  
HETATM   11  O1  UNL     1      -2.364   1.323   1.249  1.00  0.00           O  
HETATM   12  H1  UNL     1       4.740   0.245   0.489  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.316   1.850   1.312  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.033   1.631   0.647  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.016  -2.103  -1.401  1.00  0.00           H  
HETATM   16  H5  UNL     1       4.268  -0.838  -1.234  1.00  0.00           H  
HETATM   17  H6  UNL     1       3.782  -1.707   0.234  1.00  0.00           H  
HETATM   18  H7  UNL     1       0.931  -1.433  -1.376  1.00  0.00           H  
HETATM   19  H8  UNL     1       0.242   1.242  -0.043  1.00  0.00           H  
HETATM   20  H9  UNL     1      -0.346   0.672  -1.601  1.00  0.00           H  
HETATM   21  H10 UNL     1      -1.299  -1.365  -0.414  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.620  -0.767   1.107  1.00  0.00           H  
HETATM   23  H12 UNL     1      -3.393  -0.265  -1.379  1.00  0.00           H  
HETATM   24  H13 UNL     1      -2.330   1.247  -1.466  1.00  0.00           H  
HETATM   25  H14 UNL     1      -3.950   1.233  -0.600  1.00  0.00           H  
HETATM   26  H15 UNL     1      -3.084  -1.771   0.685  1.00  0.00           H  
HETATM   27  H16 UNL     1      -3.215  -0.688   2.175  1.00  0.00           H  
HETATM   28  H17 UNL     1      -4.374  -0.453   0.810  1.00  0.00           H  
HETATM   29  H18 UNL     1      -2.183   2.197   0.863  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4    5    5
CONECT    4   15   16   17
CONECT    5    6   18
CONECT    6    7   19   20
CONECT    7    8   21   22
CONECT    8    9   10   11
CONECT    9   23   24   25
CONECT   10   26   27   28
CONECT   11   29
END

HMDB0059881
     RDKit          3D
Ocimenol
 29 28  0  0  0  0  0  0  0  0999 V2000
    4.0194    0.9908    0.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7624    0.8597    0.3753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -0.3014   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3910   -1.3294   -0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -0.5117   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500    0.3348   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827   -0.4331    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3592    0.2415    0.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0241    0.6530   -0.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3385   -0.7517    1.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3637    1.3232    1.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404    0.2446    0.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    1.8499    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0331    1.6315    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -2.1033   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675   -0.8382   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816   -1.7074    0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9309   -1.4331   -1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423    1.2419   -0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464    0.6716   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -1.3649   -0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -0.7672    1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926   -0.2653   -1.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299    1.2468   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496    1.2328   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0835   -1.7706    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150   -0.6879    2.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3744   -0.4535    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833    2.1967    0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  9 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

Synonyms

Value	Source
(5E)-2,6-Dimethyl-5,7-octadien-2-ol	HMDB
(5E)-2,6-Dimethylocta-5,7-dien-2-ol	HMDB

Molecular Formula

C₁₀H₁₈O

Average Mass

154.2493

Monoisotopic Mass

154.135765198

IUPAC Name

2,6-dimethylocta-5,7-dien-2-ol

Traditional Name

2,6-dimethylocta-5,7-dien-2-ol

CAS Registry Number

5986-38-9

SMILES

CC(C=C)=CCCC(C)(C)O

InChI Identifier

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

InChI Key

IJFKZRMIRAVXRK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Tertiary alcohols

Alternative Parents

Hydrocarbon derivatives

Substituents

Tertiary alcohol
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.57 g/L	ALOGPS
logP	3.1	ALOGPS
logP	2.41	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	18.66	ChemAxon
pKa (Strongest Basic)	-1.2	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	50.44 m³·mol⁻¹	ChemAxon
Polarizability	19.34 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9100000000-6fd0e04ee416691d5b5c	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-001i-9720000000-3796a8085a3cca85a4ea	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-2900000000-650c486999d5fe3d1ec1	2015-04-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-9600000000-530a3c6807a92ba48411	2015-04-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-1000-9100000000-f98fa29d4e7c66542d34	2015-04-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0900000000-5d08390f0ea8700a9af7	2015-04-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udr-1900000000-f0f511652c8dc5b2d492	2015-04-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00kr-9700000000-5918902dc00ccb9c87cc	2015-04-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9100000000-094e438b4e4b554e74f7	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0ars-9000000000-eacdad0bf6ff181e1dae	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-075289ef77ae4eb1ca62	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0900000000-d2363ae8d4dbdcccda80	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-5900000000-c874c473771b74a8d1fa	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-1000-9300000000-79659716d9b897d6ab19	2021-10-12	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-23	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0059881

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4519990

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5368785

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Loscos N, Hernandez-Orte P, Cacho J, Ferreira V: Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions. J Agric Food Chem. 2007 Aug 8;55(16):6674-84. doi: 10.1021/jf0702343. Epub 2007 Jul 7. [PubMed:17616208 ]

Showing metabocard for Ocimenol (MMDBc0033694)

MOL for #<Metabolite:0x00007fecec827f68>

3D MOL for #<Metabolite:0x00007fecec827f68>

3D SDF for #<Metabolite:0x00007fecec827f68>

3D-SDF for #<Metabolite:0x00007fecec827f68>

PDB for #<Metabolite:0x00007fecec827f68>

3D PDB for #<Metabolite:0x00007fecec827f68>

SMILES for #<Metabolite:0x00007fecec827f68>

INCHI for #<Metabolite:0x00007fecec827f68>

Structure for #<Metabolite:0x00007fecec827f68>

3D Structure for #<Metabolite:0x00007fecec827f68>