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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 > 3,4-dihydroxyphenacyl caffeate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > ketone > aromatic ketone > 3,4-dihydroxyphenacyl caffeate
... > 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 > 3,4-dihydroxyphenacyl caffeate
... > 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 > 3,4-dihydroxyphenacyl caffeate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 3,4-dihydroxyphenacyl caffeate

Preferred term

3,4-dihydroxyphenacyl caffeate  

Type

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

Broader concept

charge

  • 0

formula

  • C17H14O7

inchi

  • InChI=1S/C17H14O7/c18-12-4-1-10(7-14(12)20)2-6-17(23)24-9-16(22)11-3-5-13(19)15(21)8-11/h1-8,18-21H,9H2/b6-2+

inchikey

  • DPMVCMFEBYVTFB-QHHAFSJGSA-N

mass

  • 330.292

monoisotopicmass

  • 330.07395

smiles

  • O(CC(=O)C1=CC(O)=C(O)C=C1)C(=O)/C=C/C2=CC(O)=C(O)C=C2

subset

  • 2_STAR

synonym EXACT

  • [2-(3,4-dihydroxyphenyl)-2-oxoethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:174449

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