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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
organic aromatic compound > phenols > 4-hydroxybenzoate ester > rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate

Preferred term

rel-(2r,3r,4r)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C13H18O7

inchi

  • InChI=1S/C13H18O7/c1-6-3-8(15)4-9(16)11(6)13(19)20-5-10(17)12(18)7(2)14/h3-4,7,10,12,14-18H,5H2,1-2H3/t7-,10-,12-/m0/s1

inchikey

  • YCFDXHRFIXXGRO-JWYUURKGSA-N

mass

  • 286.280

monoisotopicmass

  • 286.10525

smiles

  • O=C(OC[C@H](O)[C@@H](O)[C@@H](O)C)C1=C(O)C=C(O)C=C1C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3S,4S)-2,3,4-trihydroxypentyl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199635

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