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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > diarylheptanoid > 3,4,5-trihydroxy-6-/{[(1e)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy/}oxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > diarylheptanoid > 3,4,5-trihydroxy-6-/{[(1e)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy/}oxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > diarylheptanoid > 3,4,5-trihydroxy-6-/{[(1e)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy/}oxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > diarylheptanoid > 3,4,5-trihydroxy-6-/{[(1e)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy/}oxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > diarylheptanoid > 3,4,5-trihydroxy-6-/{[(1e)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy/}oxane-2-carboxylic acid

Preferred term

3,4,5-trihydroxy-6-/{[(1e)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxy/}oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28O8

inchi

  • InChI=1S/C25H28O8/c26-18(13-11-16-7-3-1-4-8-16)15-19(14-12-17-9-5-2-6-10-17)32-25-22(29)20(27)21(28)23(33-25)24(30)31/h1-10,12,14,19-23,25,27-29H,11,13,15H2,(H,30,31)/b14-12+

inchikey

  • PEYXJMQMKHYQIR-WYMLVPIESA-N

mass

  • 456.491

monoisotopicmass

  • 456.17842

smiles

  • O1C(OC(CC(=O)CCC2=CC=CC=C2)/C=C/C3=CC=CC=C3)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 3,4,5-trihydroxy-6-[(E)-5-oxo-1,7-diphenylhept-1-en-3-yl]oxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193194

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