InCHi String:
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
canonical SMILES: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
isomeric SMILES: C1=CC=C(C(=C1)CO)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-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
PUBCHEM iupac TRADITIONAL NAME(2R,3S,4S,5R,6S)-2-methylol-6-(2-methylolphenoxy)tetrahydropyran-3,4,5-triol
PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol
PubChem Substance (SID):
85165117 24899442 11495044PubChem Compound (CID):
439503KEGG: Compound ID
C01451CAS Registry IDs: 138-52-3 30370-90-2
PDB Chemical Component n/a
Miscellaneous Databases and IDs:
Thomson Pharma 00058867
ChemIDplus 000138523
Emory University Molecular Libraries Screening Center SPECTRUM1502255
ChEBI CHEBI:17814 DiscoveryGate 439503
EINECS 205-331-6
CambridgeSoft Corporation 8562
ChemBank Spectrum_001230
NCGC NCGC00142605-01
ZINC ZINC03847505
Sigma-Aldrich S0625_SIGMA
NINDS Approved Drug Screening Program 01502255
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
