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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > epicatechin 5-o-beta-d-glucopyranoside-3-benzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > epicatechin 5-o-beta-d-glucopyranoside-3-benzoate

Preferred term

epicatechin 5-o-beta-d-glucopyranoside-3-benzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C28H28O12

inchi

  • InChI=1S/C28H28O12/c29-12-22-23(33)24(34)25(35)28(40-22)39-20-10-15(30)9-19-16(20)11-21(38-27(36)13-4-2-1-3-5-13)26(37-19)14-6-7-17(31)18(32)8-14/h1-10,21-26,28-35H,11-12H2/t21-,22?,23-,24+,25?,26-,28-/m1/s1

inchikey

  • BZAMUAIUOGNDPV-AEJLRTPHSA-N

mass

  • 556.516

monoisotopicmass

  • 556.15808

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C[C@@H](OC(=O)C4=CC=CC=C4)[C@H](OC3C=C(O)C2)C5=CC(O)=C(O)C=C5)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140772

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