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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 > [2-(/{6-[(acetyloxy)methyl]-4,5-dihydroxy-2-/{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl]oxy/}oxan-3-yl/}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > [2-(/{6-[(acetyloxy)methyl]-4,5-dihydroxy-2-/{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl]oxy/}oxan-3-yl/}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid

Preferred term

[2-(/{6-[(acetyloxy)methyl]-4,5-dihydroxy-2-/{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl]oxy/}oxan-3-yl/}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H30O18S

inchi

  • InChI=1S/C28H30O18S/c1-12(30)40-9-20-22(34)23(35)24(45-27-25(46-47(37,38)39)28(36,10-29)11-41-27)26(44-20)42-15-6-16(32)21-17(33)8-18(43-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-36H,9-11H2,1H3,(H,37,38,39)

inchikey

  • KFXSEJJRYWBXPY-UHFFFAOYSA-N

mass

  • 686.590

monoisotopicmass

  • 686.11529

smiles

  • S(OC1C(O)(COC1OC2C(O)C(O)C(OC2OC=3C=C4OC(=CC(=O)C4=C(O)C3)C5=CC=C(O)C=C5)COC(=O)C)CO)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [3,4-dihydroxy-5-[4-hydroxy-4-(hydroxymethyl)-3-sulooxyoxolan-2-yl]oxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168048

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