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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > genistin 4',6''-disulfate(2-)

Preferred term

genistin 4',6''-disulfate(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C21H18O16S2

has_functional_parent

inchi

  • InChI=1S/C21H20O16S2/c22-13-5-11(35-21-20(26)19(25)18(24)15(36-21)8-34-38(27,28)29)6-14-16(13)17(23)12(7-33-14)9-1-3-10(4-2-9)37-39(30,31)32/h1-7,15,18-22,24-26H,8H2,(H,27,28,29)(H,30,31,32)/p-2/t15-,18-,19+,20-,21-/m1/s1

inchikey

  • VGZJAQZQOABSPV-CMWLGVBASA-L

is_conjugate_base_of

mass

  • 590.48800

monoisotopicmass

  • 590.00472

smiles

  • O[C@@H]1[C@@H](COS([O-])(=O)=O)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(OS([O-])(=O)=O)cc2)c3=O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 4-{5-hydroxy-4-oxo-7-[(6-O-sulfonato-beta-D-glucopyranosyl)oxy]-4H-chromen-3-yl}phenyl sulfate

synonym RELATED

  • genistin 4',6''-disulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:55452

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