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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-/{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-/{2,6-dihydroxy-4-[(e)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl/}-3-methylcyclohex-3-en-1-yl/}-3-hydroxyphenoxy)-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-(4-/{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-/{2,6-dihydroxy-4-[(e)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl/}-3-methylcyclohex-3-en-1-yl/}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > stilbenoid > 6-(4-/{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-/{2,6-dihydroxy-4-[(e)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl/}-3-methylcyclohex-3-en-1-yl/}-3-hydroxyphenoxy)-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-(4-/{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-/{2,6-dihydroxy-4-[(e)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl/}-3-methylcyclohex-3-en-1-yl/}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > stilbenoid > 6-(4-/{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-/{2,6-dihydroxy-4-[(e)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl/}-3-methylcyclohex-3-en-1-yl/}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-(4-/{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-/{2,6-dihydroxy-4-[(e)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl/}-3-methylcyclohex-3-en-1-yl/}-3-hydroxyphenoxy)-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/c1-19(2)4-8-25-29(46)11-10-26(38(25)53)39(54)36-27(24-9-7-23(17-31(24)48)60-45-42(57)40(55)41(56)43(61-45)44(58)59)12-20(3)13-28(36)37-34(51)14-21(15-35(37)52)5-6-22-16-32(49)33(50)18-30(22)47/h4-7,9-11,13-18,27-28,36,40-43,45-53,55-57H,8,12H2,1-3H3,(H,58,59)/b6-5+

inchikey

  • IVHKEHGDCKWZOA-AATRIKPKSA-N

mass

  • 842.847

monoisotopicmass

  • 842.27859

smiles

  • O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C=3C(O)=CC(O)=C(O)C3)C)C4=C(O)C=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)C6=C(O)C(=C(O)C=C6)CC=C(C)C

subset

  • 2_STAR

synonym EXACT

  • 6-[4-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-[2,6-dihydroxy-4-[(E)-2-(2,4,5-trihydroxyphenyl)ethenyl]phenyl]-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190883

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