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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > cetoniacytone b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > cetoniacytone b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > cetoniacytone b

Preferred term

cetoniacytone b  

Type

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

Broader concept

charge

  • 0

formula

  • C7H9NO4

inchi

  • InChI=1S/C7H9NO4/c8-3-1-4(10)7(2-9)6(12-7)5(3)11/h1,5-6,9,11H,2,8H2/t5-,6+,7-/m0/s1

inchikey

  • JKNVJVJEQNRUFL-XVMARJQXSA-N

mass

  • 171.152

monoisotopicmass

  • 171.05316

smiles

  • O=C1C=C(N)[C@H](O)[C@@H]2[C@]1(O2)CO

subset

  • 2_STAR

synonym EXACT

  • (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207657

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