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Chemistry, part 1

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > specionin
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > specionin

Preferred term

specionin  

Type

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

Broader concept

charge

  • 0

formula

  • C20H26O9

inchi

  • InChI=1S/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1

inchikey

  • MQCIJEYGQHWJFX-VZNPGGIZSA-N

mass

  • 394.416

monoisotopicmass

  • 394.16277

smiles

  • CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)cc3)[C@@H]3O[C@]3(CO)[C@H]2[C@@H](OCC)O1

subset

  • 2_STAR

synonym EXACT

  • Specionin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9214

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