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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-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-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-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-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-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-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-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-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-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-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-/{4-[(e)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl/}-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

  • C45H46O15

inchi

  • InChI=1S/C45H46O15/c1-20(2)4-10-27-31(47)13-12-28(38(27)52)39(53)36-29(26-11-9-25(19-33(26)49)59-45-42(56)40(54)41(55)43(60-45)44(57)58)14-21(3)15-30(36)37-34(50)16-22(17-35(37)51)5-6-23-7-8-24(46)18-32(23)48/h4-9,11-13,15-19,29-30,36,40-43,45-52,54-56H,10,14H2,1-3H3,(H,57,58)/b6-5+

inchikey

  • ZGBAWSPUWQWWOQ-AATRIKPKSA-N

mass

  • 826.848

monoisotopicmass

  • 826.28367

smiles

  • O=C(C1C(CC(=CC1C2=C(O)C=C(C=C2O)/C=C/C3=C(O)C=C(O)C=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-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-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:190899

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