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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-/{[2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-5-yl]oxy/}-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-/{[2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-5-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-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-5-yl]oxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{[2-(2,4-dihydroxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-4-oxo-3,4-dihydro-2h-1-benzopyran-5-yl]oxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C31H36O12

inchi

  • InChI=1S/C31H36O12/c1-14(2)5-4-6-15(3)7-9-19-24(35)23-21(41-28(19)18-10-8-16(32)11-20(18)34)12-17(33)13-22(23)42-31-27(38)25(36)26(37)29(43-31)30(39)40/h5,7-8,10-13,19,25-29,31-34,36-38H,4,6,9H2,1-3H3,(H,39,40)/b15-7-

inchikey

  • ZSUCSNSONPGVMG-CHHVJCJISA-N

mass

  • 600.617

monoisotopicmass

  • 600.22068

smiles

  • O1C(OC=2C=3C(=O)C(C(OC3C=C(O)C2)C4=C(O)C=C(O)C=C4)C/C=C(/CCC=C(C)C)/C)C(O)C(O)C(O)C1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-[[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169151

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