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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > dicarboxylic acid monoester(1-) > secoxyloganin(1-)

Preferred term

secoxyloganin(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C17H23O11

inchi

  • InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/p-1/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1

inchikey

  • MQLSOVRLZHTATK-PEYNGXJCSA-M

is_conjugate_base_of

mass

  • 403.361

monoisotopicmass

  • 403.12459

smiles

  • COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC([O-])=O

subset

  • 3_STAR

synonym EXACT

  • [(2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetate

synonym RELATED

  • secoxyloganin
  • secoxyloganin anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192364

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