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Chemistry, part 1

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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 > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
organic aromatic compound > phenols > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 4-bromo-6-hydroxymellein
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 4-bromo-6-hydroxymellein

Preferred term

4-bromo-6-hydroxymellein  

Type

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

Broader concept

charge

  • 0

formula

  • C10H9BrO4

inchi

  • InChI=1S/C10H9BrO4/c1-4-9(11)6-2-5(12)3-7(13)8(6)10(14)15-4/h2-4,9,12-13H,1H3/t4-,9+/m0/s1

inchikey

  • GIFQQBPEWSZJEA-AJAUBTJJSA-N

mass

  • 273.082

monoisotopicmass

  • 271.96842

smiles

  • Br[C@H]1C2=C(C(=O)O[C@H]1C)C(O)=CC(=C2)O

subset

  • 2_STAR

synonym EXACT

  • (3S,4S)-4-bromo-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206927

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