InCHi String:
InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
canonical SMILES: C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
isomeric SMILES: C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
PUBCHEM iupac TRADITIONAL NAME(2S,3R,4S,5S,6R)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
PubChem Substance (SID):
85165161 1181570 26613290PubChem Compound (CID):
440936KEGG: Compound ID
C06186CAS Registry IDs: 497-76-7
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Sigma-Aldrich A4256_SIGMA
CambridgeSoft Corporation 677
Emory University Molecular Libraries Screening Center SPECTRUM300539
ZINC ZINC00518554
ChemSpider 389765
NIAID 009897
MMCD cq_03485
MDL MFCD00016915
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
