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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 > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 3,4,5-trihydroxy-6-/{2-hydroxy-4-[(1e)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy/}oxane-2-carboxylic acid
... > 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 > glycoside > 3,4,5-trihydroxy-6-/{2-hydroxy-4-[(1e)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy/}oxane-2-carboxylic acid
... > 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 > glycoside > 3,4,5-trihydroxy-6-/{2-hydroxy-4-[(1e)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy/}oxane-2-carboxylic acid

Preferred term

3,4,5-trihydroxy-6-/{2-hydroxy-4-[(1e)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-en-1-yl]phenoxy/}oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26O15

inchi

  • InChI=1S/C21H26O15/c22-8-5-7(2-4-11(23)33-6-10-12(24)13(25)16(28)20(32)34-10)1-3-9(8)35-21-17(29)14(26)15(27)18(36-21)19(30)31/h1-5,10,12-18,20-22,24-29,32H,6H2,(H,30,31)/b4-2+

inchikey

  • KUNCSRGATPJNKF-DUXPYHPUSA-N

mass

  • 518.424

monoisotopicmass

  • 518.12717

smiles

  • O1C(C(O)C(O)C(O)C1O)COC(=O)/C=C/C2=CC(O)=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2

subset

  • 2_STAR

synonym EXACT

  • 3,4,5-trihydroxy-6-[2-hydroxy-4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168786

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