skip to main content

Chemistry, part 3

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-o-beta-d-glucopyranosyl-1h-isochromen-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-o-beta-d-glucopyranosyl-1h-isochromen-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-o-beta-d-glucopyranosyl-1h-isochromen-1-one

Preferred term

3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-o-beta-d-glucopyranosyl-1h-isochromen-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C19H22Cl2O10

inchi

  • InChI=1S/C19H22Cl2O10/c1-28-8-2-7-3-9(4-10(23)17(20)21)29-18(27)13(7)11(5-8)30-19-16(26)15(25)14(24)12(6-22)31-19/h2-3,5,10,12,14-17,19,22-26H,4,6H2,1H3/t10?,12-,14-,15+,16-,19-/m1/s1

inchikey

  • GFTMSHUDVLWCNA-PDNFJLETSA-N

mass

  • 481.280

monoisotopicmass

  • 480.05900

smiles

  • ClC(Cl)C(O)CC=1OC(=O)C=2C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)=CC(=CC2C1)OC

subset

  • 2_STAR

synonym EXACT

  • 3-(3,3-dichloro-2-hydroxypropyl)-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213362

Download this concept:

RDF/XML TURTLE JSON-LD