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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 > 1-o-caffeoyl-(b-d-glucose 6-o-sulfate)

Preferred term

1-o-caffeoyl-(b-d-glucose 6-o-sulfate)  

Type

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

Broader concept

charge

  • 0

formula

  • C15H18O12S

has_functional_parent

inchi

  • InChI=1S/C15H18O12S/c16-8-3-1-7(5-9(8)17)2-4-11(18)27-15-14(21)13(20)12(19)10(26-15)6-25-28(22,23)24/h1-5,10,12-17,19-21H,6H2,(H,22,23,24)/b4-2+

inchikey

  • GAIBMNYWJJJOQO-DUXPYHPUSA-N

mass

  • 422.360

monoisotopicmass

  • 422.05190

smiles

  • S(OCC1OC(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C(O)C(O)C1O)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [3,4,5-trihydroxy-6-(sulooxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169044

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