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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 3r,5r,6s,7e,9r-megastigman-7-en-3,5,6,9-tetrol-9-o-beta-d-apiofuranosyl-(1->2)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 3r,5r,6s,7e,9r-megastigman-7-en-3,5,6,9-tetrol-9-o-beta-d-apiofuranosyl-(1->2)-beta-d-glucopyranoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > 3r,5r,6s,7e,9r-megastigman-7-en-3,5,6,9-tetrol-9-o-beta-d-apiofuranosyl-(1->2)-beta-d-glucopyranoside

Preferred term

3r,5r,6s,7e,9r-megastigman-7-en-3,5,6,9-tetrol-9-o-beta-d-apiofuranosyl-(1->2)-beta-d-glucopyranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C24H42O13

inchi

  • InChI=1S/C24H42O13/c1-12(5-6-24(33)21(2,3)7-13(27)8-22(24,4)31)35-19-17(16(29)15(28)14(9-25)36-19)37-20-18(30)23(32,10-26)11-34-20/h5-6,12-20,25-33H,7-11H2,1-4H3/b6-5+/t12-,13-,14-,15-,16+,17-,18+,19-,20+,22-,23-,24+/m1/s1

inchikey

  • UMFFAJRUJZBSLP-OYCJCDMGSA-N

mass

  • 538.587

monoisotopicmass

  • 538.26254

smiles

  • O1[C@@H](O[C@@H](/C=C/[C@@]2(O)[C@](O)(C[C@H](O)CC2(C)C)C)C)[C@H](O[C@@H]3OC[C@]([C@H]3O)(O)CO)[C@@H](O)[C@@H]([C@H]1CO)O

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,4R)-1-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199211

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