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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-[5-(3,5-dihydroxy-4-oxo-7-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}-4h-chromen-2-yl)-2-hydroxyphenoxy]-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-[5-(3,5-dihydroxy-4-oxo-7-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}-4h-chromen-2-yl)-2-hydroxyphenoxy]-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-[5-(3,5-dihydroxy-4-oxo-7-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}-4h-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-[5-(3,5-dihydroxy-4-oxo-7-/{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy/}-4h-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H28O18

inchi

  • InChI=1S/C27H28O18/c28-6-13-15(31)17(33)21(37)26(44-13)41-8-4-10(30)14-12(5-8)42-23(19(35)16(14)32)7-1-2-9(29)11(3-7)43-27-22(38)18(34)20(36)24(45-27)25(39)40/h1-5,13,15,17-18,20-22,24,26-31,33-38H,6H2,(H,39,40)

inchikey

  • FDTKEGYLICCQKX-UHFFFAOYSA-N

mass

  • 640.503

monoisotopicmass

  • 640.12756

smiles

  • O1C(C(O)C(O)C(O)C1OC=2C=C3OC(C4=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=C(O)C=C4)=C(O)C(=O)C3=C(O)C2)CO

subset

  • 2_STAR

synonym EXACT

  • 6-[5-[3,5-dihydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185198

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