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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > beta-d-glucosiduronic acid > 6-/{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4h-chromen-2-yl]-2-methoxyphenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > beta-d-glucosiduronic acid > 6-/{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4h-chromen-2-yl]-2-methoxyphenoxy/}-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 > flavonoids > 6-/{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4h-chromen-2-yl]-2-methoxyphenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4h-chromen-2-yl]-2-methoxyphenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H28O16

inchi

  • InChI=1S/C28H28O16/c1-8-18(31)20(33)22(35)25(41-8)17-11(30)7-15-16(19(17)32)10(29)6-13(42-15)9-3-4-12(14(5-9)40-2)43-28-24(37)21(34)23(36)26(44-28)27(38)39/h3-8,20-26,28,30,32-37H,1-2H3,(H,38,39)

inchikey

  • LLOKLVWFMIXVFX-UHFFFAOYSA-N

mass

  • 620.516

monoisotopicmass

  • 620.13773

smiles

  • O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=3OC4=C(C(O)=C(C5OC(C(=O)C(O)C5O)C)C(O)=C4)C(=O)C3)C=C2)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-[4-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168369

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