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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > beta-d-glucosiduronic acid > 16alpha-hydroxyestrone 3-o-(beta-d-glucuronide)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > beta-d-glucosiduronic acid > 16alpha-hydroxyestrone 3-o-(beta-d-glucuronide)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > steroid glucosiduronic acid > 16alpha-hydroxyestrone 3-o-(beta-d-glucuronide)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > steroid glucosiduronic acid > 16alpha-hydroxyestrone 3-o-(beta-d-glucuronide)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid glucosiduronic acid > 16alpha-hydroxyestrone 3-o-(beta-d-glucuronide)

Preferred term

16alpha-hydroxyestrone 3-o-(beta-d-glucuronide)  

Type

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

Broader concept

charge

  • 0

formula

  • C24H30O9

has_functional_parent

inchi

  • InChI=1S/C24H30O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,23-,24+/m1/s1

inchikey

  • LUVBXKQCOJYEJY-OWYKRJLGSA-N

is_conjugate_acid_of

mass

  • 462.491

monoisotopicmass

  • 462.18898

smiles

  • C1[C@]2([C@]3([C@@](C4=C(CC3)C=C(C=C4)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)(CC[C@@]2(C(=O)[C@@H]1O)C)[H])[H])[H]

subset

  • 3_STAR

synonym EXACT

  • 16alpha-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137488

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