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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-/{6-[6-(2,4-dihydroxyphenyl)-2-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-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 > olefinic compound > stilbenoid > 6-/{6-[6-(2,4-dihydroxyphenyl)-2-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > stilbenoid > 6-/{6-[6-(2,4-dihydroxyphenyl)-2-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-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 > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > 6-/{6-[6-(2,4-dihydroxyphenyl)-2-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > 6-/{6-[6-(2,4-dihydroxyphenyl)-2-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy/}-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-/{6-[6-(2,4-dihydroxyphenyl)-2-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-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

  • C45H46O16

inchi

  • InChI=1S/C45H46O16/c1-20(2)3-9-27-31(49)12-11-28(42(27)60-45-41(57)39(55)40(56)43(61-45)44(58)59)38(54)36-29(26-10-8-25(48)18-33(26)51)13-22(19-46)14-30(36)37-34(52)15-21(16-35(37)53)4-5-23-6-7-24(47)17-32(23)50/h3-8,10-12,14-18,29-30,36,39-41,43,45-53,55-57H,9,13,19H2,1-2H3,(H,58,59)/b5-4+

inchikey

  • MNKGSIPFBQAVQC-SNAWJCMRSA-N

mass

  • 842.847

monoisotopicmass

  • 842.27859

smiles

  • O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(O)C=C3)CO)C4=C(O)C=C(O)C=C4)C5=C(OC6OC(C(O)C(O)C6O)C(O)=O)C(=C(O)C=C5)CC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • 6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185860

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