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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-/{4-[(3-/{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl/}-4-oxo-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-/{4-[(3-/{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl/}-4-oxo-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-/{4-[(3-/{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl/}-4-oxo-3,4-dihydro-2h-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-[(2-/{4-[(3-/{[4-(acetyloxy)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl/}-4-oxo-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

  • C34H40O20

inchi

  • InChI=1S/C34H40O20/c1-13(37)54-34(11-36)12-47-33(29(34)44)53-28-24(41)22(39)21(10-35)51-32(28)48-15-4-2-14(3-5-15)19-9-18(38)17-7-6-16(8-20(17)50-19)49-31-26(43)23(40)25(42)27(52-31)30(45)46/h2-8,19,21-29,31-33,35-36,39-44H,9-12H2,1H3,(H,45,46)

inchikey

  • OOGIDZPKFNWDHP-UHFFFAOYSA-N

mass

  • 768.674

monoisotopicmass

  • 768.21129

smiles

  • O(C1C(O)C(O)C(OC1OC2=CC=C(C3OC4=C(C(=O)C3)C=CC(OC5OC(C(O)C(O)C5O)C(O)=O)=C4)C=C2)CO)C6OCC(OC(=O)C)(C6O)CO

subset

  • 2_STAR

synonym EXACT

  • 6-[[2-[4-[3-[4-acetyloxy-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188944

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