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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 > (2r,3r)-3,5-dichloro-6-hydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-6-hydroxymellein
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-6-hydroxymellein
organic aromatic compound > phenols > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-6-hydroxymellein
... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-6-hydroxymellein
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-6-hydroxymellein
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-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 > (2r,3r)-3,5-dichloro-6-hydroxymellein
organic aromatic compound > aromatic carboxylic acid > benzoic acids > hydroxybenzoic acid > (2r,3r)-3,5-dichloro-6-hydroxymellein

Preferred term

(2r,3r)-3,5-dichloro-6-hydroxymellein  

Type

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

Broader concept

charge

  • 0

formula

  • C10H8Cl2O4

inchi

  • InChI=1S/C10H8Cl2O4/c1-3-8(11)7-6(10(15)16-3)4(13)2-5(14)9(7)12/h2-3,8,13-14H,1H3/t3-,8+/m1/s1

inchikey

  • OTFIQWVFKDJIQQ-NHBGOVDGSA-N

mass

  • 263.070

monoisotopicmass

  • 261.97996

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215875

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