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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-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 > phenylpropanoid > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-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 > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-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 heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-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 heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavonoid oligomer > 6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred term

6-(3-/{8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2h-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl/}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C42H44O22

inchi

  • InChI=1S/C42H44O22/c43-11-23-28(51)30(53)32(55)39(61-23)26-21(49)10-20(48)25-27(29(52)36(63-38(25)26)13-4-5-16(44)18(46)7-13)24-19(47)9-17(45)15-8-22(50)35(62-37(15)24)12-2-1-3-14(6-12)60-42-34(57)31(54)33(56)40(64-42)41(58)59/h1-7,9-10,22-23,27-36,39-40,42-57H,8,11H2,(H,58,59)

inchikey

  • KODIUHQQFDXEKV-UHFFFAOYSA-N

mass

  • 900.792

monoisotopicmass

  • 900.23242

smiles

  • O1C(C(O)C(O)C(O)C1CO)C=2C=3OC(C(O)C(C3C(O)=CC2O)C=4C=5OC(C(O)CC5C(O)=CC4O)C6=CC(OC7OC(C(O)C(O)C7O)C(O)=O)=CC=C6)C8=CC(O)=C(O)C=C8

subset

  • 2_STAR

synonym EXACT

  • 6-[3-[8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185157

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