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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-/{4-[(1e)-3-oxo-3-/{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl/}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-/{4-[(1e)-3-oxo-3-/{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl/}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-/{4-[(1e)-3-oxo-3-/{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl/}prop-1-en-1-yl]phenoxy/}oxane-2-carboxylic acid

Preferred term

3,4,5-trihydroxy-6-/{4-[(1e)-3-oxo-3-/{4,5,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl/}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

  • C33H42O22

inchi

  • InChI=1S/C33H42O22/c34-7-13-17(38)20(41)24(45)30(54-13)33(51)28(47)14(18(39)15(29(33)48)19(40)26-22(43)16(37)12(36)8-52-26)11(35)6-3-9-1-4-10(5-2-9)53-32-25(46)21(42)23(44)27(55-32)31(49)50/h1-6,12-14,16-17,19-28,30,32,34,36-38,40-48,51H,7-8H2,(H,49,50)/b6-3+

inchikey

  • QJKFMWGFSYFKNQ-ZZXKWVIFSA-N

mass

  • 790.677

monoisotopicmass

  • 790.21677

smiles

  • O1C(C2(O)C(O)C(C(=O)C(=C2O)C(O)C3OCC(O)C(O)C3O)C(=O)/C=C/C4=CC=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)C(O)C(O)C(O)C1CO

subset

  • 2_STAR

synonym EXACT

  • 3,4,5-trihydroxy-6-[4-[(E)-3-oxo-3-[4,5,6-trihydroxy-3-[hydroxy-(3,4,5-trihydroxyoxan-2-yl)methyl]-2-oxo-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-3-en-1-yl]prop-1-enyl]phenoxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185348

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