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Chemistry, part 3

Content language

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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'-acetylsalicortin
... > 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'-acetylsalicortin
... > 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'-acetylsalicortin

Preferred term

3'-acetylsalicortin  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26O11

inchi

  • InChI=1S/C22H26O11/c1-12(24)31-19-17(26)15(10-23)33-20(18(19)27)32-14-7-3-2-6-13(14)11-30-21(28)22(29)9-5-4-8-16(22)25/h2-3,5-7,9,15,17-20,23,26-27,29H,4,8,10-11H2,1H3/t15-,17-,18-,19+,20-,22+/m1/s1

inchikey

  • KRIAUZJQJJBBBE-LDSJNNAZSA-N

mass

  • 466.436

monoisotopicmass

  • 466.14751

smiles

  • O1[C@@H]([C@@H](O)[C@H](OC(C)=O)[C@@H](O)[C@@H]1OC=2C(COC(=O)[C@@]3(O)C(=O)CCC=C3)=CC=CC2)CO

subset

  • 2_STAR

synonym EXACT

  • {2-[(3-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl}methyl (1S)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137511

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