skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > cyclitol > validone
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > cyclitol > validone
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > polyol > cyclitol > validone

Preferred term

validone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C7H12O5

has_role

inchi

  • InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3,5-8,10-12H,1-2H2/t3-,5-,6+,7+/m1/s1

inchikey

  • ACVTTWBZLGNMCH-UMWONPOSSA-N

mass

  • 176.167

monoisotopicmass

  • 176.06847

smiles

  • [C@H]1([C@H](CC([C@@H]([C@H]1O)O)=O)CO)O

subset

  • 3_STAR

synonym EXACT

  • (2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
  • validone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111542

Download this concept:

RDF/XML TURTLE JSON-LD