4-hydroxy-3-methoxymandelic Acid
4_hydroxy_3_methoxymandelic_acid synonyms
DL-4-Hydroxy-3-methoxymandelic acid; 3-Methoxy-4-hydroxymandelate; 3-methoxy-4-hydroxymandelic acid; dl-Alpha,4-dihydroxy-3-methoxyphenylacetic acid; alpha,4-Dihydroxy-3-methoxybenzeneacetic acid; Vanillylmandelic acid; Vanillomandelic acid; 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid; Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid; VMA; Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-
Graphical representations:
View large 3D structure
Molecular Formula: C9H10O5
Natural Isotopic Abundance Mass: 198.1727
Mono-Isotopic Molecular Masses:
- C12N14: 198.0528234315
- C13N14: 207.0830169717
- C12N15: 198.0528234315
- C13N15: 207.0830169717
InChI string: InChI=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-/m1/s1
PubChem Compound (CID): 1245CAS Registry number: 55-10-7
Sigma-Aldrich: H0131_SIGMA
ChEBI: CHEBI:20106
University of Pittsburgh Molecular Library Screening Center: 78
KEGG Compound ID: C05584
Emory University Molecular Libraries Screening Center: EU-0100602
NIST: 1766930339
MMCD: cq_03129
MDL: MFCD00004235
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)