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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > phthalate ester > astrophthalide
organooxygen compound > carbonyl compound > carboxylic ester > phthalate ester > astrophthalide

Preferred term

astrophthalide  

Type

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

Broader concept

charge

  • 0

formula

  • C12H12O6

inchi

  • InChI=1S/C12H12O6/c1-5(13)10-8-6(11(15)17-2)3-4-7(14)9(8)12(16)18-10/h3-5,10,13-14H,1-2H3/t5-,10+/m1/s1

inchikey

  • BKNNTSDIJDLCKH-FWOIEVBISA-N

mass

  • 252.222

monoisotopicmass

  • 252.06339

smiles

  • O=C1O[C@@H]([C@H](O)C)C=2C1=C(O)C=CC2C(=O)OC

subset

  • 2_STAR

synonym EXACT

  • methyl (3R)-7-hydroxy-3-[(1R)-1-hydroxyethyl]-1-oxo-3H-2-benzouran-4-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216176

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