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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-/{[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-2-(2,4,5-trihydroxyphenyl)-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-/{[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-2-(2,4,5-trihydroxyphenyl)-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-/{[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-2-(2,4,5-trihydroxyphenyl)-4h-chromen-7-yl]oxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-2-(2,4,5-trihydroxyphenyl)-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

  • C36H42O13

inchi

  • InChI=1S/C36H42O13/c1-16(2)7-6-8-18(5)10-12-20-29(41)27-26(47-33(20)21-13-23(38)24(39)14-22(21)37)15-25(19(28(27)40)11-9-17(3)4)48-36-32(44)30(42)31(43)34(49-36)35(45)46/h7,9-10,13-15,30-32,34,36-40,42-44H,6,8,11-12H2,1-5H3,(H,45,46)/b18-10-

inchikey

  • WHINGZPUNISUMG-ZDLGFXPLSA-N

mass

  • 682.719

monoisotopicmass

  • 682.26254

smiles

  • O1C(OC2=C(C(O)=C3C(OC(=C(C3=O)C/C=C(/CCC=C(C)C)/C)C=4C(O)=CC(O)=C(O)C4)=C2)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168350

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