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Concept information

Preferred term

2',3,4,4',6' pentahydroxychalcone 4' O beta Glucoside  

Type

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

charge

  • 0

formula

  • C21H22O11

inchi

  • InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1

inchikey

  • GZTXEEPKLNRIEL-LYXDKPSQSA-N

mass

  • 450.39280

monoisotopicmass

  • 450.11621

smiles

  • OC[C@H]1O[C@@H](Oc2cc(O)c(C(=O)/C=C/c3ccc(O)c(O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 4-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66904

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