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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 > 6-[(2-/{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl/}-3,5-dihydroxy-3,4-dihydro-2h-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > 6-[(2-/{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl/}-3,5-dihydroxy-3,4-dihydro-2h-1-benzopyran-7-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 > flavonoids > 6-[(2-/{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl/}-3,5-dihydroxy-3,4-dihydro-2h-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-[(2-/{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl/}-3,5-dihydroxy-3,4-dihydro-2h-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H34O17

inchi

  • InChI=1S/C29H34O17/c1-2-9-3-4-10(5-15(9)44-29-22(37)18(33)20(35)25(46-29)27(40)41)23-14(31)8-12-13(30)6-11(7-16(12)43-23)42-28-21(36)17(32)19(34)24(45-28)26(38)39/h3-7,14,17-25,28-37H,2,8H2,1H3,(H,38,39)(H,40,41)

inchikey

  • PJEMFSWEKABRLL-UHFFFAOYSA-N

mass

  • 654.574

monoisotopicmass

  • 654.17960

smiles

  • O1C(OC=2C=C(C3OC=4C(CC3O)=C(O)C=C(OC5OC(C(O)C(O)C5O)C(O)=O)C4)C=CC2CC)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-[[2-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4-ethylphenyl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190895

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