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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > secoxyloganin
organooxygen compound > carbonyl compound > carboxylic ester > dicarboxylic acid monoester > secoxyloganin
organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid monoester > secoxyloganin
organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > secoxyloganin
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > secoxyloganin
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > secoxyloganin
organooxygen compound > ester > carboxylic ester > methyl ester > secoxyloganin
organooxygen compound > carbonyl compound > carboxylic ester > methyl ester > secoxyloganin
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > secoxyloganin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > secoxyloganin

Preferred term

secoxyloganin  

Type

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

Broader concept

charge

  • 0

formula

  • C17H24O11

has_role

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)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1

inchikey

  • MQLSOVRLZHTATK-PEYNGXJCSA-N

is_conjugate_acid_of

mass

  • 404.367

monoisotopicmass

  • 404.13186

smiles

  • O1[C@@H](O[C@@H]2OC=C([C@H]([C@H]2C=C)CC(O)=O)C(OC)=O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

subset

  • 3_STAR

synonym EXACT

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

synonym RELATED

  • (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
  • secoxy-loganin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:132712

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