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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > polyphenol > tannin > (-)-4-o-(4-o-beta-d-glucopyranosylcaffeoyl)quinic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > tannin > (-)-4-o-(4-o-beta-d-glucopyranosylcaffeoyl)quinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > (-)-4-o-(4-o-beta-d-glucopyranosylcaffeoyl)quinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > (-)-4-o-(4-o-beta-d-glucopyranosylcaffeoyl)quinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > polyphenol > tannin > (-)-4-o-(4-o-beta-d-glucopyranosylcaffeoyl)quinic acid

Preferred term

(-)-4-o-(4-o-beta-d-glucopyranosylcaffeoyl)quinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H28O14

inchi

  • InChI=1S/C22H28O14/c23-8-14-16(28)17(29)18(30)20(35-14)34-13-3-1-9(5-10(13)24)2-4-15(27)36-19-11(25)6-22(33,21(31)32)7-12(19)26/h1-5,11-12,14,16-20,23-26,28-30,33H,6-8H2,(H,31,32)/b4-2+/t11-,12-,14+,16+,17-,18+,19?,20+,22?/m1/s1

inchikey

  • WFYFOXSDFJBMRW-LRINATJCSA-N

mass

  • 516.452

monoisotopicmass

  • 516.14791

smiles

  • O=C(OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O)/C=C/C2=CC(O)=C(O[C@H]3O[C@H]([C@H](O)[C@H]([C@@H]3O)O)CO)C=C2

subset

  • 2_STAR

synonym EXACT

  • (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212927

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