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Concept information

... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > dihydrochalcones > 3-[2-(hydroxymethyl)-5-methoxy-2-methyl-2h-chromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > dihydrochalcones > 3-[2-(hydroxymethyl)-5-methoxy-2-methyl-2h-chromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > dihydrochalcones > 3-[2-(hydroxymethyl)-5-methoxy-2-methyl-2h-chromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one

Preferred term

3-[2-(hydroxymethyl)-5-methoxy-2-methyl-2h-chromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O5

inchi

  • InChI=1S/C21H22O5/c1-21(13-22)12-11-17-19(26-21)10-6-15(20(17)25-2)5-9-18(24)14-3-7-16(23)8-4-14/h3-4,6-8,10-12,22-23H,5,9,13H2,1-2H3

inchikey

  • UOZBWVITMGBQSR-UHFFFAOYSA-N

mass

  • 354.402

monoisotopicmass

  • 354.14672

smiles

  • O1C(C=CC2=C1C=CC(=C2OC)CCC(=O)C3=CC=C(O)C=C3)(CO)C

subset

  • 2_STAR

synonym EXACT

  • 3-[2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-1-(4-hydroxyphenyl)propan-1-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190912

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