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Concept information

Preferred term

puerarin xyloside  

Type

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

charge

  • 0

formula

  • C26H28O13

has_functional_parent

inchi

  • InChI=1S/C26H28O13/c27-7-16-20(32)21(33)22(34)25(38-16)17-15(39-26-23(35)19(31)14(29)9-37-26)6-5-12-18(30)13(8-36-24(12)17)10-1-3-11(28)4-2-10/h1-6,8,14,16,19-23,25-29,31-35H,7,9H2/t14-,16-,19+,20-,21+,22-,23-,25+,26-/m1/s1

inchikey

  • NAAXIGQVODQJOV-PXYOAQHISA-N

mass

  • 548.49270

monoisotopicmass

  • 548.15299

smiles

  • OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2c1occ(-c1ccc(O)cc1)c2=O

subset

  • 3_STAR

synonym EXACT

  • (1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-4-oxo-7-(alpha-D-xylopyranosyloxy)-4H-1-benzopyran-8-yl]-D-glucitol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80896

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