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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > 6'-o-acetylpaeoniflorin
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 6'-o-acetylpaeoniflorin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > 6'-o-acetylpaeoniflorin
organooxygen compound > ester > carboxylic ester > acetate ester > 6'-o-acetylpaeoniflorin
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > 6'-o-acetylpaeoniflorin
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 6'-o-acetylpaeoniflorin

Preferred term

6'-o-acetylpaeoniflorin  

Type

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

Broader concept

charge

  • 0

formula

  • C25H30O12

has_functional_parent

has_role

inchi

  • InChI=1S/C25H30O12/c1-12(26)32-9-14-16(27)17(28)18(29)20(34-14)35-25-8-15-23(25,11-33-19(30)13-6-4-3-5-7-13)21-36-22(25,2)10-24(15,31)37-21/h3-7,14-18,20-21,27-29,31H,8-11H2,1-2H3/t14-,15-,16-,17+,18-,20+,21-,22+,23+,24-,25+/m1/s1

inchikey

  • RKEWKGLURKYHJJ-YBBFZNMFSA-N

mass

  • 522.499

monoisotopicmass

  • 522.17373

smiles

  • [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)O[C@@]23[C@]4([C@@](C2)([C@@]5(O[C@]4(O[C@]3(C5)C)[H])O)[H])COC(C6=CC=CC=C6)=O

subset

  • 3_STAR

synonym EXACT

  • [(1aR,2S,3aR,5R,5aR,5bS)-1a-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-methyltetrahydro-1H-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3aH)-yl]methyl benzoate

synonym RELATED

  • 6'-acetylpaeoniflorin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132815

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