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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 > 15g256pi
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > 4-hydroxybenzoate ester > 15g256pi
... > 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 > 15g256pi
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > 15g256pi
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxybenzoate ester > 15g256pi
organic aromatic compound > phenols > 4-hydroxybenzoate ester > 15g256pi

Preferred term

15g256pi  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34O13

inchi

  • InChI=1S/C28H34O13/c1-13(29)5-17-9-19(30)11-21(32)25(17)27(37)41-16(4)8-24(36)39-14(2)6-18-10-20(31)12-22(33)26(18)28(38)40-15(3)7-23(34)35/h9-16,29-33H,5-8H2,1-4H3,(H,34,35)/t13-,14-,15-,16-/m1/s1

inchikey

  • BXRYQSJVKZGYMP-KLHDSHLOSA-N

mass

  • 578.567

monoisotopicmass

  • 578.19994

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3R)-3-[2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200434

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