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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > phenolate anion > ascofuranone(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > phenolate anion > ascofuranone(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > phenolate anion > ascofuranone(1-)

Preferred term

ascofuranone(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C23H28ClO5

inchi

  • InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/p-1/b13-9+,14-8+/t18-/m0/s1

inchikey

  • VGYPZLGWVQQOST-JUERRSSISA-M

is_conjugate_base_of

mass

  • 419.920

monoisotopicmass

  • 419.16308

smiles

  • C=1(C(=C(C(=C(C1Cl)C)C([H])=O)O)C/C=C(/CC/C=C(/C)/[C@@]2(CC(C(O2)(C)C)=O)[H])/C)[O-]

subset

  • 3_STAR

synonym EXACT

  • 2-chloro-6-{(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxotetrahydrofuran-2-yl]-3-methylocta-2,6-dien-1-yl}-4-formyl-5-hydroxy-3-methylphenolate

synonym RELATED

  • ascofuranone
  • ascofuranone anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146160

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