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Chemistry, part 3

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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 > o-acyl carbohydrate > methyl (3r,4r,5r)-5-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
... > 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 > o-acyl carbohydrate > methyl (3r,4r,5r)-5-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate
... > 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 > o-acyl carbohydrate > methyl (3r,4r,5r)-5-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate

Preferred term

methyl (3r,4r,5r)-5-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(e)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28O11

inchi

  • InChI=1S/C23H28O11/c1-31-22(30)13-9-14(25)18(27)15(10-13)32-23-21(20(29)19(28)16(11-24)33-23)34-17(26)8-7-12-5-3-2-4-6-12/h2-9,14-16,18-21,23-25,27-29H,10-11H2,1H3/b8-7+/t14-,15-,16-,18-,19-,20+,21-,23-/m1/s1

inchikey

  • DWQNDLRNUNNJHX-NZNOAPCVSA-N

mass

  • 480.466

monoisotopicmass

  • 480.16316

smiles

  • O1[C@@H](O[C@H]2[C@H](O)[C@H](O)C=C(C2)C(OC)=O)[C@H](OC(=O)/C=C/C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]1CO

subset

  • 2_STAR

synonym EXACT

  • methyl (3R,4R,5R)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxycyclohexene-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181094

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