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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > ynone > speciosin n
... > 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 > alpha,beta-unsaturated ketone > ynone > speciosin n
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > ynone > speciosin n

Preferred term

speciosin n  

Type

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

Broader concept

charge

  • 0

formula

  • C11H14O5

inchi

  • InChI=1S/C11H14O5/c1-10(15,6-12)4-5-11-8(14)3-2-7(13)9(11)16-11/h2-3,7-9,12-15H,6H2,1H3/t7-,8-,9+,10?,11-/m0/s1

inchikey

  • NBVMVBRMJCNNNY-KLDZRKOQSA-N

mass

  • 226.228

monoisotopicmass

  • 226.08412

smiles

  • O1[C@@]2(C#CC(O)(CO)C)[C@@H](O)C=C[C@@H]([C@@H]12)O

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,5S,6R)-1-(3,4-dihydroxy-3-methylbut-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214819

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