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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 > 5-chloro-6-hydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > 5-chloro-6-hydroxymellein
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > 5-chloro-6-hydroxymellein
organic aromatic compound > phenols > hydroxybenzoic acid > 5-chloro-6-hydroxymellein
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-6-hydroxymellein
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-6-hydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-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 > 5-chloro-6-hydroxymellein
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-6-hydroxymellein

Preferred term

5-chloro-6-hydroxymellein  

Type

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

Broader concept

charge

  • 0

formula

  • C10H9ClO4

inchi

  • InChI=1S/C10H9ClO4/c1-4-2-5-8(10(14)15-4)6(12)3-7(13)9(5)11/h3-4,12-13H,2H2,1H3/t4-/m1/s1

inchikey

  • MKFJHHDROMDROC-SCSAIBSYSA-N

mass

  • 228.630

monoisotopicmass

  • 228.01894

smiles

  • ClC1=C(O)C=C(O)C2=C1C[C@@H](C)OC2=O

subset

  • 2_STAR

synonym EXACT

  • (3R)-5-chloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213940

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