Arbutin

Arbutin bmse000365 - Data

Arbutin synonyms

Uvasol; p-Arbutin; Hydroquinone beta-D-glucopyranoside; Ursin; Hydroquinone-O-beta-D-glucopyranoside; 4-Hydroxyphenyl-.beta.-D-glucopyranoside; Arbutin; beta-Arbutin; Arbutoside; 4-Hydroxyphenyl-beta-D-glucopyranoside

Wikipedia:

Graphical representations:

arbutin

View large 3D structure

Molecular Formula: C12H16O7

Natural Isotopic Abundance Mass: 272.25124

Mono-Isotopic Molecular Masses:

  • C12N14: 272.0896028683
  • C13N14: 284.1298609219
  • C12N15: 272.0896028683
  • C13N15: 284.1298609219

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

PubChem Compound (CID): 440936
CAS Registry number: 497-76-7
Sigma-Aldrich: A4256_SIGMA
CambridgeSoft Corporation: 677
Emory University Molecular Libraries Screening Center: SPECTRUM300539
ZINC: ZINC00518554
ChemSpider: 389765
KEGG Compound ID: C06186
NIAID: 009897
MMCD: cq_03485
MDL: MFCD00016915

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)