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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 6-/{4-[(1e)-3-(/{5-[(2-/{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl/}methoxy)-3-oxoprop-1-en-1-yl]phenoxy/}-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-/{4-[(1e)-3-(/{5-[(2-/{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl/}methoxy)-3-oxoprop-1-en-1-yl]phenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{4-[(1e)-3-(/{5-[(2-/{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy/}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4-dihydroxyoxolan-3-yl/}methoxy)-3-oxoprop-1-en-1-yl]phenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C41H44O21

inchi

  • InChI=1S/C41H44O21/c42-16-27-29(47)31(49)35(39(60-27)59-23-10-1-19(2-11-23)5-13-25(44)24-12-7-21(43)15-26(24)45)62-40-36(52)41(55,18-57-40)17-56-28(46)14-6-20-3-8-22(9-4-20)58-38-33(51)30(48)32(50)34(61-38)37(53)54/h1-15,27,29-36,38-40,42-43,45,47-52,55H,16-18H2,(H,53,54)/b13-5+,14-6+

inchikey

  • RGORSBALFNKUFH-ACFHMISVSA-N

mass

  • 872.782

monoisotopicmass

  • 872.23751

smiles

  • O(C1C(O)C(O)C(OC1OC2=CC=C(C=C2)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO)C4OCC(O)(C4O)COC(=O)/C=C/C5=CC=C(OC6OC(C(O)C(O)C6O)C(O)=O)C=C5

subset

  • 2_STAR

synonym EXACT

  • 6-[4-[(E)-3-[[5-[2-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methoxy]-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180859

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