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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > scoparin 6''-o-glucoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > scoparin 6''-o-glucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > scoparin 6''-o-glucoside

Preferred term

scoparin 6''-o-glucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32O16

inchi

  • InChI=1S/C28H32O16/c1-40-15-4-9(2-3-10(15)30)14-6-13(33)18-11(31)5-12(32)19(26(18)42-14)27-24(38)22(36)21(35)17(43-27)8-41-28-25(39)23(37)20(34)16(7-29)44-28/h2-6,16-17,20-25,27-32,34-39H,7-8H2,1H3/t16?,17?,20-,21-,22+,23+,24?,25?,27+,28-/m1/s1

inchikey

  • HLDFVQBORWFGAX-FPLGPEGNSA-N

mass

  • 624.548

monoisotopicmass

  • 624.16903

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@]1(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC(OC)=C(O)C=C4)[H])CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO

subset

  • 2_STAR

synonym EXACT

  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197135

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