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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 > s-glycosyl compound > n-demethylcelesticetin
... > 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 > s-glycosyl compound > n-demethylcelesticetin
... > 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 > s-glycosyl compound > n-demethylcelesticetin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > thiosugar > s-glycosyl compound > n-demethylcelesticetin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > thiosugar > s-glycosyl compound > n-demethylcelesticetin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organosulfur compound > thiosugar > s-glycosyl compound > n-demethylcelesticetin
... > 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 > thiosugar > s-glycosyl compound > n-demethylcelesticetin
... > 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 > thiosugar > s-glycosyl compound > n-demethylcelesticetin
... > 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 > thiosugar > s-glycosyl compound > n-demethylcelesticetin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > thioacetal > monothioacetal > s-glycosyl compound > n-demethylcelesticetin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organosulfur compound > thioacetal > monothioacetal > s-glycosyl compound > n-demethylcelesticetin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organosulfur compound > thioacetal > monothioacetal > s-glycosyl compound > n-demethylcelesticetin
... > 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 > glycosyl compound > s-glycosyl compound > n-demethylcelesticetin
... > 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 > glycosyl compound > s-glycosyl compound > n-demethylcelesticetin
... > 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 > glycosyl compound > s-glycosyl compound > n-demethylcelesticetin

Preferred term

n-demethylcelesticetin  

Type

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

Broader concept

charge

  • 0

formula

  • C23H34N2O9S

inchi

  • InChI=1S/C23H34N2O9S/c1-12(32-2)16(25-21(30)14-7-5-9-24-14)20-18(28)17(27)19(29)23(34-20)35-11-10-33-22(31)13-6-3-4-8-15(13)26/h3-4,6,8,12,14,16-20,23-24,26-29H,5,7,9-11H2,1-2H3,(H,25,30)/t12-,14+,16-,17+,18-,19-,20+,23-/m1/s1

inchikey

  • JGNMAXOBERVZHJ-FWXYZYEUSA-N

mass

  • 514.590

monoisotopicmass

  • 514.19850

smiles

  • S([C@H]1O[C@H]([C@H](O)[C@@H]([C@H]1O)O)[C@H](NC(=O)[C@H]2NCCC2)[C@H](OC)C)CCOC(=O)C3=C(O)C=CC=C3

subset

  • 2_STAR

synonym EXACT

  • 2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-pyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulanylethyl 2-hydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224069

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