MiMeDB: Showing metabocard for Geranyl acetone (MMDBc0033645)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:57:14 UTC

Update Date

2022-12-15 22:51:57 UTC

MiMeDB ID

MMDBc0033645

Metabolite Identification

Common Name

Geranyl acetone

Description

Structure

MOL SDF PDB SMILES InChI

geranyl acetone
  Mrv1572001071617082D          

 14 13  0  0  0  0            999 V2000
    4.5375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033645

> <DATABASE_NAME>
MIME

> <SMILES>
CC(C)=CCC\C(C)=C\CCC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

> <INCHI_KEY>
HNZUNIKWNYHEJJ-FMIVXFBMSA-N

> <FORMULA>
C13H22O

> <MOLECULAR_WEIGHT>
194.318

> <EXACT_MASS>
194.167065328

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
24.90987585771945

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5E)-6,10-dimethylundeca-5,9-dien-2-one

> <ALOGPS_LOGP>
4.59

> <JCHEM_LOGP>
3.6816755403333334

> <ALOGPS_LOGS>
-3.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.598762051814717

> <JCHEM_PKA_STRONGEST_BASIC>
-7.2778271430393975

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
63.8259

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
geranylacetone

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: geranyl acetone                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0       8.470   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.780   5.335   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.470   6.668   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.160   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.850   4.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    6    1                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

Synonyms

Not Available

Chemical Formula

C₁₃H₂₂O

Average Molecular Weight

194.318

Monoisotopic Molecular Weight

194.167065328

IUPAC Name

(5E)-6,10-dimethylundeca-5,9-dien-2-one

Traditional Name

geranylacetone

CAS Registry Number

67-64-1

SMILES

CC(C)=CCC\C(C)=C\CCC(C)=O

InChI Identifier

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChI Key

HNZUNIKWNYHEJJ-FMIVXFBMSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Property	Value	Source
Water Solubility	0.094 g/L	ALOGPS
logP	4.59	ALOGPS
logP	3.68	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	19.6	ChemAxon
pKa (Strongest Basic)	-7.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	17.07 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	63.83 m³·mol⁻¹	ChemAxon
Polarizability	24.91 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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	splash10-0006-9600000000-41458b4911ee6554b5b4	2016-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-002b-0900000000-22aaf2de71220d323f8c	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-05y1-5900000000-b9793a3c456efd9db543	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0gb9-9200000000-0ccb71b516f62ccb1982	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-49a606374f47e6c4e143	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-2900000000-37d60e4771277898dc21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9600000000-52911be4f91a2692f60a	2016-08-03	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0006-9200000000-c6dd2f5838016a5108be	2015-03-01	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria

Biospecimen Locations

Adipose Tissue
Adrenal Gland
Bladder
Blood
Brain
Breast Milk
Cerebrospinal Fluid (CSF)
Epidermis
Feces
Fibroblasts
Kidney
Liver
Neuron
Pancreas
Placenta
Saliva
Testis
Thyroid Gland
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Reference
Alcoholism	Increased	This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 57138	Association	Human Blood	2779169	details
Celiac disease		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 97470	Association	Human Feces	21970810	details
Crohn's disease		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 121806	Association	Human Feces	23867873	details
Diabetes mellitus type 2		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 12255	Association	Human Urine	6321058	details
Hepatic encephalopathy		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 7628	Association	Human Cerebrospinal Fluid (CSF)	7320160	details
Irritable bowel syndrome		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 121805	Association	Human Feces	23867873	details
Kidney disease		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 17080	Association	Human Blood	914932	details
Lung Cancer		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 12673	Association	Human Urine	18953024	details
Paraquat poisoning		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 12254	Association	Human Urine	9625050	details
Ulcerative colitis		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 121804	Association	Human Feces	23867873	details
Eosinophilic esophagitis		This associated disease is originally imported from HMDB metabolite HMDB0001659 concentration id 98171	Association	Human Urine	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown
	Proteobacteria	27	Turkey ; Human ; Human Feces
	Firmicutes	6	Human Feces; Human
	Actinobacteria	5	Human
	Tenericutes	1	Human
NULL	Actinobacteria	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	1520.0		206.6	5285.0	Adult (>18 years old)	Both	Alcohol intoxication	HMDB	2779169	details
Human	Detected and Quantified			0	188995.123	Children (1-13 years old)	Not Specified	Treated celiac disease	HMDB	21970810	details
Human	Detected and Quantified	0.00143		0.000654	0.00436	Not Specified	Not Specified	Crohns disease	HMDB	23867873	details
Human	Detected and Quantified	13.2				Adult (>18 years old)	Both	Diabetes	HMDB	6321058	details
Human	Detected and Quantified	14.5	3.6			Adult (>18 years old)	Female	Early preeclampsia	HMDB	22494326	details
Human	Detected and Quantified	2700				Adult (>18 years old)	Not Specified	Hepatic encephalopathy	HMDB	7320160	details
Human	Detected and Quantified	0.00117		0.000620	0.00260	Not Specified	Not Specified	Irritable bowel syndrome	HMDB	23867873	details
Human	Detected and Quantified			25.0	85.0	Adult (>18 years old)	Both	Kidney disease	HMDB	914932	details
Human	Detected and Quantified	22.1	11.4			Adult (>18 years old)	Female	Late-onset preeclampsia	HMDB	23159745	details
Human	Detected and Quantified	5.0	5.0			Adult (>18 years old)	Both	Lung cancer	HMDB	18953024	details
Human	Detected and Quantified	11.2				Adult (>18 years old)	Both	Paraquat poisoning	HMDB	9625050	details
Human	Detected and Quantified	10.5	3.3			Adult (>18 years old)	Female	Pregnancy	HMDB	23313728	details
Human	Detected and Quantified	14.9	8.5			Adult (>18 years old)	Female	Pregnancy	HMDB	23159745	details
Human	Detected and Quantified	15.98	9.44			Adult (>18 years old)	Female	Pregnancy	HMDB	23535240	details
Human	Detected and Quantified	17.2	20.3			Adult (>18 years old)	Female	Pregnancy	HMDB	22494326	details
Human	Detected and Quantified	18.46	5.83			Adult (>18 years old)	Female	Pregnancy	HMDB	24704061	details
Human	Detected and Quantified	0.00208		0.00138	0.00415	Not Specified	Not Specified	Ulcerative colitis	HMDB	23867873	details
Human	Detected and Quantified	5.2				Not Specified	Male	Normal	HMDB	1787157	details
Human	Detected and Quantified	<6.6				Adult (>18 years old)	Both	Normal	HMDB	9625050	details
Human	Detected and Quantified			0	337126.436	Children (1-13 years old)	Not Specified	Normal	HMDB	21970810	details
Human	Detected and Quantified			1	41	Adult (>18 years old)	Male	normal	HMDB	19259987	details
Human	Detected and Quantified	10		<1	45	Adult (>18 years old)	Male	Normal	HMDB	19259987	details
Human	Detected and Quantified	10.3	6.4			Adult (>18 years old)	Female	Normal	HMDB	24027187	details
Human	Detected and Quantified	106.0		35.0	170.0	Adult (>18 years old)	Both	Normal	HMDB	1787157	details
Human	Detected and Quantified			14	110	Newborn (0-30 days old)	Both	Normal	HMDB	31506554	details
Human	Detected and Quantified	17		1	198	Adult (>18 years old)	Male	Normal	HMDB	19259987	details
Human	Detected and Quantified	17		1	214	Adult (>18 years old)	Male	Normal	HMDB	19259987	details
Human	Detected and Quantified			2	347	Adult (>18 years old)	Male	normal	HMDB	19259987	details
Human	Detected and Quantified	2.24	4.13			Adult (>18 years old)	Both	Normal	HMDB	7672857	details
Human	Detected and Quantified	20	21			Adult (>18 years old)	Both	Normal	HMDB	18502700	details
Human	Detected and Quantified	3.9		0.8	17.6	Adult (>18 years old)	Both	Normal	HMDB	24023812	details
Human	Detected and Quantified			35.00	170.0	Adult (>18 years old)	Both	Normal	HMDB	1787157	details
Human	Detected and Quantified	47.3		40.4	54.2	Adult (>18 years old)	Male	Normal	HMDB	10353310	details
Human	Detected and Quantified	54.4	29.6			Adult (>18 years old)	Both	Normal	HMDB	21359215	details
Human	Detected and Quantified	67.1		43.0	91.2	Adult (>18 years old)	Both	Normal	HMDB	15627241	details
Human	Detected and Quantified	7		<1	44	Adult (>18 years old)	Female	Normal	HMDB	19259987	details
Human	Detected and Quantified	6.931	9.374			Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)	details
Human	Detected and Quantified	3.914	3.929			Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)	details
Human	Detected and Quantified			17.23	86.14	Adult (>18 years old)	Both	Normal	HMDB	David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971	details
Human	Detected and Quantified	0.92		0.20	2.8	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.	details
Human	Detected and Quantified	117.0	65.0			Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.	details
Human	Detected and Quantified	30.0	20.0			Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.	details
Human	Detected and Quantified	4.2		0.98	15.3	Infant (0-1 year old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.	details
Human	Detected and Quantified	50.0	5.0			Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.	details
Human	Detected and Quantified	25.34	22.82			Adult (>18 years old)	Both	Normal	HMDB	Zerihun T. Dame, Farid Aziat, Rupasri Mandal, Ram Krishnamurthy, Souhaila Bouatra, Shima Borzouie, An Chi Guo, Tanvir Sajed, Lu Deng, Hong Lin, Philip Liu, Edison Dong, David S. Wishart "The human saliva metabolome" Metabolomics (2015) DOI 10.1007/s11306-015-0840-5	details
Human Adipose Tissue	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Adrenal Gland	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Bladder	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Brain	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Epidermis	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Fibroblasts	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Kidney	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Liver	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Neuron	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Pancreas	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Placenta	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Testis	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Thyroid Gland	Detected but not Quantified					Not Specified	Not Specified	Normal	HMDB	34986597	details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Abou-Zeid AA, Fouad M, Yassein M: Microbiological production of acetone-butanol by Clostridium acetobutylicum. Zentralbl Bakteriol Naturwiss. 1978;133(2):125-34. doi: 10.1016/s0323-6056(78)80023-8. [PubMed:685531 ]
Wittmann S, Gilg T, Dietz HG, Grantzow R, Peschel O, von Meyer L: [Isopropanol and acetone level in serum after preoperative surface disinfection with antiseptics containing isopropanol]. Blutalkohol. 1992 Sep;29(5):326-35. [PubMed:1389018 ]
Benz J: Antidiabetic agents and lactation. J Hum Lact. 1992 Mar;8(1):27-8. doi: 10.1177/089033449200800121. [PubMed:1558654 ]
Crawley SC, Hindsgaul O, Alton G, Pierce M, Palcic MM: An enzyme-linked immunosorbent assay for N-acetylglucosaminyltransferase-V. Anal Biochem. 1990 Feb 15;185(1):112-7. doi: 10.1016/0003-2697(90)90264-a. [PubMed:2160776 ]
Robinson RC, Shorr RG, Varrichio A, Park SS, Gelboin HV, Miller H, Friedman FK: Human liver cytochrome P-450 related to a rat acetone-inducible, nitrosamine-metabolizing cytochrome P-450: identification and isolation. Pharmacology. 1989;39(3):137-44. doi: 10.1159/000138590. [PubMed:2587619 ]
Bird AR, Kossew B, Mulligan TP, Jacobs P: Regional thromboplastin standardisation using a human brain extract. S Afr Med J. 1989 Jun 3;75(11):538-40. [PubMed:2727843 ]
Bales JR, Higham DP, Howe I, Nicholson JK, Sadler PJ: Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine. Clin Chem. 1984 Mar;30(3):426-32. [PubMed:6321058 ]
Baum HP, Reichrath J, Theobald A, Schock G: Fixation requirements for the immunohistochemical reactivity of PCNA antibody PC10 on cryostat sections. Histochem J. 1994 Dec;26(12):929-33. [PubMed:7896568 ]
Paweska JT, Barnard BJ, Williams R: The use of sucrose-acetone-extracted Rift Valley fever virus antigen derived from cell culture in an indirect enzyme-linked immunosorbent assay and haemagglutination-inhibition test. Onderstepoort J Vet Res. 1995 Dec;62(4):227-33. [PubMed:8668320 ]
Bairaktari E, Katopodis K, Siamopoulos KC, Tsolas O: Paraquat-induced renal injury studied by 1H nuclear magnetic resonance spectroscopy of urine. Clin Chem. 1998 Jun;44(6 Pt 1):1256-61. [PubMed:9625050 ]
Benfeldt E, Serup J, Menne T: Effect of barrier perturbation on cutaneous salicylic acid penetration in human skin: in vivo pharmacokinetics using microdialysis and non-invasive quantification of barrier function. Br J Dermatol. 1999 Apr;140(4):739-48. doi: 10.1046/j.1365-2133.1999.02859.x. [PubMed:10233334 ]
Kalapos MP: Possible physiological roles of acetone metabolism in humans. Med Hypotheses. 1999 Sep;53(3):236-42. doi: 10.1054/mehy.1998.0752. [PubMed:10580530 ]
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Showing metabocard for Geranyl acetone (MMDBc0033645)

MOL for #<Metabolite:0x000055b76bd0c938>

3D MOL for #<Metabolite:0x000055b76bd0c938>

3D SDF for #<Metabolite:0x000055b76bd0c938>

3D-SDF for #<Metabolite:0x000055b76bd0c938>

PDB for #<Metabolite:0x000055b76bd0c938>

3D PDB for #<Metabolite:0x000055b76bd0c938>

SMILES for #<Metabolite:0x000055b76bd0c938>

INCHI for #<Metabolite:0x000055b76bd0c938>

Structure for #<Metabolite:0x000055b76bd0c938>

3D Structure for #<Metabolite:0x000055b76bd0c938>