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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > (2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > (2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate
... > 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 > (2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > (2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > (2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate
organic aromatic compound > phenols > 4-hydroxybenzoate ester > (2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate

Preferred term

(2r,3r)-1,2,3,4-butanetetraol-1,4-diorsellinate  

Type

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

Broader concept

charge

  • 0

formula

  • C20H22O10

inchi

  • InChI=1S/C20H22O10/c1-9-3-11(21)5-13(23)17(9)19(27)29-7-15(25)16(26)8-30-20(28)18-10(2)4-12(22)6-14(18)24/h3-6,15-16,21-26H,7-8H2,1-2H3/t15-,16-/m1/s1

inchikey

  • PMCZCBBEXYZDFW-HZPDHXFCSA-N

mass

  • 422.386

monoisotopicmass

  • 422.12130

smiles

  • O=C(OC[C@@H](O)[C@H](O)COC(=O)C1=C(O)C=C(O)C=C1C)C2=C(O)C=C(O)C=C2C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R)-4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2,3-dihydroxybutyl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218390

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