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Concept information

Preferred term

4' O متیل ( ) اپی کاتچین 3' O بتا گلوکورونید  

Type

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

charge

  • 0

formula

  • C23H26O12

inchi

  • InChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1

inchikey

  • FSEFRWXTJLHUBQ-QHZMYPFFSA-N

mass

  • 494.449

monoisotopicmass

  • 494.14243

smiles

  • O1[C@@H](OC=2C=C(C3OC=4C(C[C@@H]3O)=C(O)C=C(O)C4)C=CC2COC)C(O)[C@@H](O)[C@H](O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (3S,4S,6S)-3,4,5-trihydroxy-6-[2-(methoxymethyl)-5-[(3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]oxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172714

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