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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > ketone > aromatic ketone > actofunicone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > actofunicone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > actofunicone
... > 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 > aromatic ketone > actofunicone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > actofunicone

Preferred term

actofunicone  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O9

inchi

  • InChI=1S/C21H22O9/c1-11(30-12(2)22)6-14-8-17(23)16(10-29-14)20(24)19-15(21(25)28-5)7-13(26-3)9-18(19)27-4/h7-11H,6H2,1-5H3/t11-/m0/s1

inchikey

  • VSHBHDIKPQHDHQ-NSHDSACASA-N

mass

  • 418.398

monoisotopicmass

  • 418.12638

smiles

  • O=C1C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)=COC(=C1)C[C@@H](OC(=O)C)C

subset

  • 2_STAR

synonym EXACT

  • methyl 2-[6-[(2S)-2-acetyloxypropyl]-4-oxopyran-3-carbonyl]-3,5-dimethoxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226593

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