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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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > n-glycosyl compound > herbicidin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > n-glycosyl compound > herbicidin e
... > 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 > n-glycosyl compound > herbicidin e
... > 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 > n-glycosyl compound > herbicidin e
... > 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 > n-glycosyl compound > herbicidin e
... > 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 > n-glycosyl compound > herbicidin e
... > 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 > n-glycosyl compound > herbicidin e
... > 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 > n-glycosyl compound > herbicidin e

Preferred term

herbicidin e  

Type

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

Broader concept

charge

  • 0

formula

  • C22H29N5O10

inchi

  • InChI=1S/C22H29N5O10/c1-8(2)20(29)36-16-12(28)14(21(30)33-4)35-10-5-9-13(37-22(10,16)31)15(32-3)19(34-9)27-7-26-11-17(23)24-6-25-18(11)27/h6-10,12-16,19,28,31H,5H2,1-4H3,(H2,23,24,25)/t9-,10-,12-,13-,14+,15+,16+,19-,22+/m1/s1

inchikey

  • DIGRAKJXHSMXBZ-HUPRSAECSA-N

mass

  • 523.499

monoisotopicmass

  • 523.19144

smiles

  • O=C(OC)[C@H]1O[C@H]2[C@@](O[C@H]3[C@H](OC)[C@@H](O[C@@H]3C2)N4C5=NC=NC(=C5N=C4)N)(O)[C@H]([C@@H]1O)OC(=O)C(C)C

subset

  • 2_STAR

synonym EXACT

  • methyl (1S,3R,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-4-methoxy-13-(2-methylpropanoyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223675

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