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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > speciosin a
... > 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 > speciosin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > speciosin a

Preferred term

speciosin a  

Type

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

Broader concept

charge

  • 0

formula

  • C10H8O3

inchi

  • InChI=1S/C10H8O3/c1-2-3-6-10-8(12)5-4-7(11)9(10)13-10/h2,4-5,7,9,11H,1H2/t7-,9+,10-/m0/s1

inchikey

  • AXIMRAFIBNWUDM-SFGNSQDASA-N

mass

  • 176.171

monoisotopicmass

  • 176.04734

smiles

  • O=C1C=C[C@H](O)[C@@H]2[C@]1(O2)C#CC=C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214728

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