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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 > 6-/{[10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-(prop-2-en-1-yl)-2h,3h,4h,8h-pyrano[3,2-g]chromen-5-yl]oxy/}-3,4,5-trihydroxyoxane-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 > 6-/{[10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-(prop-2-en-1-yl)-2h,3h,4h,8h-pyrano[3,2-g]chromen-5-yl]oxy/}-3,4,5-trihydroxyoxane-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 > 6-/{[10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-(prop-2-en-1-yl)-2h,3h,4h,8h-pyrano[3,2-g]chromen-5-yl]oxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{[10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-(prop-2-en-1-yl)-2h,3h,4h,8h-pyrano[3,2-g]chromen-5-yl]oxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H32O12

inchi

  • InChI=1S/C27H32O12/c1-5-7-11-9-15(30)36-23-16(11)21(37-26-20(33)18(31)19(32)24(38-26)25(34)35)12-10-14(29)27(3,4)39-22(12)17(23)13(28)8-6-2/h5,9,14,18-20,24,26,29,31-33H,1,6-8,10H2,2-4H3,(H,34,35)

inchikey

  • DFBKAUYCKKZYLL-UHFFFAOYSA-N

mass

  • 548.541

monoisotopicmass

  • 548.18938

smiles

  • O1C(C(O)CC2=C1C(=C3OC(=O)C=C(C3=C2OC4OC(C(O)C(O)C4O)C(O)=O)CC=C)C(=O)CCC)(C)C

subset

  • 2_STAR

synonym EXACT

  • 6-[(10-butanoyl-3-hydroxy-2,2-dimethyl-8-oxo-6-prop-2-enyl-3,4-dihydropyrano[3,2-g]chromen-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190733

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