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Concept information

Preferred term

isohemiphloin  

Type

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

charge

  • 0

formula

  • C21H22O10

has_functional_parent

inchi

  • InChI=1S/C21H22O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-5,13-14,17-19,21-25,27-29H,6-7H2/t13-,14+,17+,18-,19+,21-/m0/s1

inchikey

  • VPQWOQSQAVBHEV-VHLXACGYSA-N

mass

  • 434.39340

monoisotopicmass

  • 434.12130

smiles

  • OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1

subset

  • 3_STAR

synonym EXACT

  • (1S)-1,5-anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-D-glucitol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80529

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