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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > 6-/{[2-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4h-chromen-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-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4h-chromen-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-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4h-chromen-7-yl]oxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{[2-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4h-chromen-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

  • C36H42O12

inchi

  • InChI=1S/C36H42O12/c1-17(2)6-10-22-27(46-36-31(43)29(41)30(42)34(48-36)35(44)45)15-13-24-28(40)23(11-8-19(5)25(38)14-7-18(3)4)32(47-33(22)24)21-12-9-20(37)16-26(21)39/h6-9,12-13,15-16,25,29-31,34,36-39,41-43H,10-11,14H2,1-5H3,(H,44,45)/b19-8-

inchikey

  • QOXHHQUKMHNASA-UWVJOHFNSA-N

mass

  • 666.720

monoisotopicmass

  • 666.26763

smiles

  • O1C(OC2=C(C=3OC(=C(C(=O)C3C=C2)C/C=C(/C(O)CC=C(C)C)/C)C4=C(O)C=C(O)C=C4)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-[2-(2,4-dihydroxyphenyl)-3-[(2Z)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-8-(3-methylbut-2-enyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168726

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