4-hydroxy-3-methoxymandelic acid

• 4-hydroxy-3-methoxymandelic acid
• bmse000703 - data

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)

canonical and isomeric SMILES:
COC1=C(C=CC(=C1)C(C(=O)O)O)O


PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)ethanoic acid



PubChem Substance (SID):   17405164   10422114   85305368
PubChem Compound (CID):   1245
KEGG: Compound ID   C05584
CAS Registry IDs:   55-10-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich H0131_SIGMA   ChEBI CHEBI:20106   University of Pittsburgh Molecular Library Screening Center 78   Emory University Molecular Libraries Screening Center EU-0100602   NIST 1766930339   MMCD cq_03129   MDL MFCD00004235