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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-4,6-dihydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein
organic aromatic compound > phenols > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein
... > 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-4,6-dihydroxymellein
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > 5-chloro-4,6-dihydroxymellein

Preferred term

5-chloro-4,6-dihydroxymellein  

Type

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

Broader concept

charge

  • 0

formula

  • C10H9ClO5

inchi

  • InChI=1S/C10H9ClO5/c1-3-9(14)7-6(10(15)16-3)4(12)2-5(13)8(7)11/h2-3,9,12-14H,1H3/t3-,9+/m1/s1

inchikey

  • ADCGGGYNNDZRRJ-OLLQQOEVSA-N

mass

  • 244.630

monoisotopicmass

  • 244.01385

smiles

  • ClC1=C(O)C=C(O)C2=C1[C@@H](O)[C@@H](C)OC2=O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198410

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