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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-/{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-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-/{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-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-/{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-(5-/{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-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

  • C36H36O16

inchi

  • InChI=1S/C36H36O16/c37-16-3-1-2-14(8-16)9-23(42)27(18-6-5-17(38)11-21(18)40)28-24(43)13-22(41)19-12-25(44)32(51-33(19)28)15-4-7-20(39)26(10-15)50-36-31(47)29(45)30(46)34(52-36)35(48)49/h1-8,10-11,13,23,25,27,29-32,34,36-47H,9,12H2,(H,48,49)

inchikey

  • FOSLDXWNNCSSJU-UHFFFAOYSA-N

mass

  • 724.668

monoisotopicmass

  • 724.20034

smiles

  • O1C(C(O)CC2=C1C(C(C(O)CC3=CC(O)=CC=C3)C4=C(O)C=C(O)C=C4)=C(O)C=C2O)C5=CC(OC6OC(C(O)C(O)C6O)C(O)=O)=C(O)C=C5

subset

  • 2_STAR

synonym EXACT

  • 6-[5-[8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190832

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