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Vanillylmandelic acid (PC000260)

Record Information
Version1.0
Creation date2015-10-09 22:29:32 UTC
Update date2017-01-19 02:36:18 UTC
FoodComEx IDPC000260
FoodDB RecordFDB021931
Chemical Information
NameVanillylmandelic acid
DescriptionVanillylmandelic acid is one of the products of the catabolism of catecholamines (epinephrine, norepinephrine and dopamine). High levels of vanillylmandelic acid can indicate an adrenal gland tumor (pheochromocytoma) or another type of tumor that produces catecholamines. (WebMD) [HMDB]
CAS Number55-10-7
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(4-Hydroxy-3-methoxyphenyl)glycolatehmdb
(4-Hydroxy-3-methoxyphenyl)glycolic acidhmdb
3-methoxy-4-hydroxy-mandelic acidhmdb
3-Methoxy-4-hydroxymandelatehmdb
3-methoxy-4-hydroxymandelic acidhmdb
3-Methoxy-4-hydroxyphenylhydroxyacetatehmdb
3-Methoxy-4-hydroxyphenylhydroxyacetic acidhmdb
4-hydroxy 3-methoxymandelic acidhmdb
4-Hydroxy-3-methoxy-DL-mandelatehmdb
4-Hydroxy-3-methoxy-DL-mandelic acidhmdb
4-hydroxy-3-methoxy-Mandelatehmdb
4-hydroxy-3-methoxy-Mandelic acidhmdb
4-Hydroxy-3-methoxymandelatehmdb
4-Hydroxy-3-methoxymandelic acidhmdb
4'-Hydroxy-3'-methoxymandelatehmdb
4'-Hydroxy-3'-methoxymandelic acidhmdb
DL-3-Methoxy-4-hydroxymandelatehmdb
DL-3-Methoxy-4-hydroxymandelic acidhmdb
DL-4-Hydroxy-3-methoxymandelatehmdb
DL-4-Hydroxy-3-methoxymandelic acidhmdb
DL-vanillomandelatehmdb
DL-vanillomandelic acidhmdb
DL-vanillylmandelatehmdb
DL-vanillylmandelic acidhmdb
HMMAhmdb
Hydroxymethoxymandelic acidhmdb
Lopac-H-0131hmdb
vainillylmandelic acidhmdb
Vanillinmandelatehmdb
Vanillinmandelic acidhmdb
Vanillomandelatehmdb
Vanillomandelic acidhmdb
vanillyl-mandelic acidhmdb
Vanillylmandelatehmdb
vanillylmandellic acidhmdb
vanillymandelic acidhmdb
Vanilmandelatehmdb
Vanilmandelic acidhmdb
vanilylmandelic acidhmdb
vanyl-mandelic acidhmdb
vanylmandelic acidhmdb
VMAhmdb
Chemical FormulaC9H10O5
IUPAC name(2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI IdentifierInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m0/s1
InChI KeyCGQCWMIAEPEHNQ-QMMMGPOBSA-N
Isomeric SMILESCOC1=C(O)C=CC(=C1)[C@H](O)C(O)=O
Average Molecular Weight198.1727
Monoisotopic Molecular Weight198.05282343
Chemical Taxonomy
Description Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassMethoxyphenols
Direct ParentMethoxyphenols
Alternative Parents
Substituents
  • Methoxyphenol
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Alpha-hydroxy acid
  • Monocyclic benzene moiety
  • Hydroxy acid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Aromatic alcohol
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 500 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 8088AF
Fluka HMDB0000291
MetaSci HMDB0000291
Toronto Research Chemicals H946330