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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > 4'-hydroxyfenoprofen glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 4'-hydroxyfenoprofen glucuronide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 4'-hydroxyfenoprofen glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 4'-hydroxyfenoprofen glucuronide

Preferred term

4'-hydroxyfenoprofen glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O10

inchi

  • InChI=1S/C21H22O10/c1-10(19(24)25)11-3-2-4-14(9-11)29-12-5-7-13(8-6-12)30-17-15(22)18(20(26)27)31-21(28)16(17)23/h2-10,15-18,21-23,28H,1H3,(H,24,25)(H,26,27)/t10?,15-,16+,17-,18-,21?/m0/s1

inchikey

  • FPPVBAMKHUAIOP-OYQCQVHHSA-N

mass

  • 434.397

monoisotopicmass

  • 434.12130

smiles

  • O1[C@@H]([C@@H](O)[C@H](OC2=CC=C(OC=3C=C(C(C)C(O)=O)C=CC3)C=C2)[C@@H](O)C1O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R)-4-[4-[3-(1-carboxyethyl)phenoxy]phenoxy]-3,5,6-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:196622

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