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Concept information

Preferred term

apiin  

Type

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

alt_id

  • CHEBI:12250
  • CHEBI:20775
  • CHEBI:2278

charge

  • 0

formula

  • C26H28O14

has_functional_parent

has_role

inchi

  • InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1

inchikey

  • NTDLXWMIWOECHG-YRCFQSNFSA-N

is_conjugate_acid_of

mass

  • 564.49212

monoisotopicmass

  • 564.14791

smiles

  • OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside
  • 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranosyl-(1->2)-beta-D-glucopyranoside
  • Apiin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:15932

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