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Chemistry, part 2

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Concept information

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

Preferred term

speciosin m  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O5

inchi

  • InChI=1S/C13H16O5/c1-8(7-17-9(2)14)5-6-13-11(16)4-3-10(15)12(13)18-13/h3-4,8,10-12,15-16H,7H2,1-2H3/t8?,10-,11-,12+,13-/m0/s1

inchikey

  • JKDYXIPQPNPYOX-HKPRDLDOSA-N

mass

  • 252.266

monoisotopicmass

  • 252.09977

smiles

  • O=C(OCC(C#C[C@@]12O[C@@H]1[C@@H](O)C=C[C@@H]2O)C)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216568

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