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Showing metabocard for 4-Methoxybenzyl alcohol (HMDB0034241)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:02:41 UTC
Update Date2023-02-21 17:24:05 UTC
HMDB IDHMDB0034241
Secondary Accession Numbers
  • HMDB34241
Metabolite Identification
Common Name4-Methoxybenzyl alcohol
Description4-Methoxybenzyl alcohol belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure. 4-Methoxybenzyl alcohol is a sweet, caramel, and chocolate tasting compound. 4-Methoxybenzyl alcohol is found, on average, in the highest concentration within anises (Pimpinella anisum). 4-Methoxybenzyl alcohol has also been detected, but not quantified in, herbs and spices. This could make 4-methoxybenzyl alcohol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 4-Methoxybenzyl alcohol.
Structure
Data?1677000245
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034241 (4-Methoxybenzyl alcohol)


  Mrv0541 05061307402D          

 10 10  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
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3D MOL for HMDB0034241 (4-Methoxybenzyl alcohol)

HMDB0034241
     RDKit          3D
4-Methoxybenzyl alcohol
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5399    0.5305    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    0.3271   -0.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    0.1305   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -0.0631   -1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237   -0.2637   -1.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013   -0.2684   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -0.4820    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2803   -0.4606    1.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073   -0.0735    0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7537    0.1269    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3210   -0.1816    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5443    0.2059   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    1.5759    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6719   -0.0677   -2.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -0.4166   -2.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715    0.2743   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590   -1.4692   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981    0.3799    1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981   -0.0801    1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    0.2756    1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END
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3D SDF for HMDB0034241 (4-Methoxybenzyl alcohol)


  Mrv0541 05061307402D          

 10 10  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    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
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034241

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=C(CO)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

> <INCHI_KEY>
MSHFRERJPWKJFX-UHFFFAOYSA-N

> <FORMULA>
C8H10O2

> <MOLECULAR_WEIGHT>
138.1638

> <EXACT_MASS>
138.068079564

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
14.908805513791496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4-methoxyphenyl)methanol

> <ALOGPS_LOGP>
1.28

> <JCHEM_LOGP>
1.048224783

> <ALOGPS_LOGS>
-0.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.022862165663575

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7888000887387516

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
39.3371

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.66e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
P-methoxybenzyl alcohol

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0034241 (4-Methoxybenzyl alcohol)

HMDB0034241
     RDKit          3D
4-Methoxybenzyl alcohol
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5399    0.5305    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    0.3271   -0.7826 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    0.1305   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -0.0631   -1.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0237   -0.2637   -1.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5013   -0.2684   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9531   -0.4820    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2803   -0.4606    1.5337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6073   -0.0735    0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7537    0.1269    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3210   -0.1816    1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5443    0.2059   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    1.5759    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6719   -0.0677   -2.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7192   -0.4166   -2.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5715    0.2743   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590   -1.4692   -0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981    0.3799    1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981   -0.0801    1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    0.2756    1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END
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PDB for HMDB0034241 (4-Methoxybenzyl alcohol)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1   10                                                            
CONECT    2    4    7                                                       
CONECT    3    5    7                                                       
CONECT    4    2    8                                                       
CONECT    5    3    8                                                       
CONECT    6    7    9                                                       
CONECT    7    2    3    6                                                  
CONECT    8    4    5   10                                                  
CONECT    9    6                                                            
CONECT   10    1    8                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0034241 (4-Methoxybenzyl alcohol)

COMPND    HMDB0034241
HETATM    1  C1  UNL     1       3.540   0.531   0.204  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.576   0.327  -0.783  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.225   0.131  -0.523  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.344  -0.063  -1.565  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.024  -0.264  -1.332  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.501  -0.268  -0.038  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.953  -0.482   0.198  1.00  0.00           C  
HETATM    8  O2  UNL     1      -3.280  -0.461   1.534  1.00  0.00           O  
HETATM    9  C7  UNL     1      -0.607  -0.073   0.992  1.00  0.00           C  
HETATM   10  C8  UNL     1       0.754   0.127   0.773  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.321  -0.182   1.041  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.544   0.206  -0.182  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.620   1.576   0.545  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.672  -0.068  -2.598  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.719  -0.417  -2.156  1.00  0.00           H  
HETATM   16  H6  UNL     1      -3.571   0.274  -0.353  1.00  0.00           H  
HETATM   17  H7  UNL     1      -3.259  -1.469  -0.208  1.00  0.00           H  
HETATM   18  H8  UNL     1      -3.098   0.380   1.995  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.998  -0.080   1.999  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.416   0.276   1.617  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3
CONECT    3    4    4   10
CONECT    4    5   14
CONECT    5    6    6   15
CONECT    6    7    9
CONECT    7    8   16   17
CONECT    8   18
CONECT    9   10   10   19
CONECT   10   20
END
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SMILES for HMDB0034241 (4-Methoxybenzyl alcohol)

COC1=CC=C(CO)C=C1
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INCHI for HMDB0034241 (4-Methoxybenzyl alcohol)

InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
P-Methoxybenzyl alcoholChEMBL, HMDB, MeSH
(4-Methoxyphenyl)methanolHMDB
4-AnisylalcoholHMDB
4-Methoxy-benzenemethanolHMDB
4-MethoxybenzenemethanolHMDB
Anis alcoholHMDB
Anise alcoholHMDB
Anisic alcoholHMDB
Anisyl alcoholHMDB, MeSH
FEMA 2099HMDB
Jandajel(TM)-wangHMDB
P-AnisalcoholHMDB
P-Anisol alcoholHMDB
P-Anisyl alcoholHMDB
P-Methoxy-benzyl alcoholHMDB
4-Methoxybenzyl alcoholMeSH
AnisalcoholMeSH
Para-methoxybenzyl alcoholMeSH
Chemical FormulaC8H10O2
Average Molecular Weight138.1638
Monoisotopic Molecular Weight138.068079564
IUPAC Name(4-methoxyphenyl)methanol
Traditional NameP-methoxybenzyl alcohol
CAS Registry Number105-13-5
SMILES
COC1=CC=C(CO)C=C1
InChI Identifier
InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChI KeyMSHFRERJPWKJFX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzyl alcohols
Direct ParentBenzyl alcohols
Alternative Parents
Substituents
  • Phenoxy compound
  • Methoxybenzene
  • Phenol ether
  • Benzyl alcohol
  • Anisole
  • Alkyl aryl ether
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic alcohol
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point24 - 25 °CNot Available
Boiling Point259.00 to 260.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility2 mg/mL at 20 °CNot Available
LogP1.10Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility16.6 g/LALOGPS
logP1.28ALOGPS
logP1.05ChemAxon
logS-0.92ALOGPS
pKa (Strongest Acidic)15.02ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.46 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity39.34 m³·mol⁻¹ChemAxon
Polarizability14.91 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
DarkChem[M+H]+129.84131661259
DarkChem[M-H]-126.94931661259
DeepCCS[M+H]+132.49230932474
DeepCCS[M-H]-128.66230932474
DeepCCS[M-2H]-165.85330932474
DeepCCS[M+Na]+141.27830932474
AllCCS[M+H]+128.932859911
AllCCS[M+H-H2O]+124.332859911
AllCCS[M+NH4]+133.332859911
AllCCS[M+Na]+134.632859911
AllCCS[M-H]-129.232859911
AllCCS[M+Na-2H]-130.932859911
AllCCS[M+HCOO]-132.932859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.11 minutes32390414
Predicted by Siyang on May 30, 202211.4315 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.92 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1529.4 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid396.4 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid143.9 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid238.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid127.5 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid424.4 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid462.4 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)115.9 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid943.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid347.4 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1065.1 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid304.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid340.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate420.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA334.7 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water80.7 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4-Methoxybenzyl alcoholCOC1=CC=C(CO)C=C12289.6Standard polar33892256
4-Methoxybenzyl alcoholCOC1=CC=C(CO)C=C11204.2Standard non polar33892256
4-Methoxybenzyl alcoholCOC1=CC=C(CO)C=C11295.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4-Methoxybenzyl alcohol,1TMS,isomer #1COC1=CC=C(CO[Si](C)(C)C)C=C11395.1Semi standard non polar33892256
4-Methoxybenzyl alcohol,1TBDMS,isomer #1COC1=CC=C(CO[Si](C)(C)C(C)(C)C)C=C11612.7Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB012554
KNApSAcK IDC00053979
Chemspider ID21105859
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAnisyl alcohol
METLIN IDNot Available
PubChem Compound7738
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1001251
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .