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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > hydrangenol 4'-o-beta-d-apiofuranosyl-(1->6)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > hydrangenol 4'-o-beta-d-apiofuranosyl-(1->6)-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > hydrangenol 4'-o-beta-d-apiofuranosyl-(1->6)-beta-d-glucopyranoside
... > organooxygen compound > oxacycle > benzopyran > 2-benzopyran > isochromanes > dihydroisocoumarins > hydrangenol 4'-o-beta-d-apiofuranosyl-(1->6)-beta-d-glucopyranoside

Preferred term

hydrangenol 4'-o-beta-d-apiofuranosyl-(1->6)-beta-d-glucopyranoside  

Type

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

charge

  • 0

formula

  • C26H30O13

has_functional_parent

inchi

  • InChI=1S/C26H30O13/c27-10-26(34)11-36-25(22(26)32)35-9-17-19(29)20(30)21(31)24(39-17)37-14-6-4-12(5-7-14)16-8-13-2-1-3-15(28)18(13)23(33)38-16/h1-7,16-17,19-22,24-25,27-32,34H,8-11H2/t16?,17-,19-,20+,21-,22+,24-,25-,26-/m1/s1

inchikey

  • NCBLEDBCMRNNAV-NFZGRANLSA-N

mass

  • 550.50860

monoisotopicmass

  • 550.16864

smiles

  • OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)C3Cc4cccc(O)c4C(=O)O3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 4-(8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl)phenyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68134

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