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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxyflavone > tetrahydroxyflavone > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavone > tetrahydroxyflavone > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > hydroxyflavone > tetrahydroxyflavone > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > hydroxyflavone > tetrahydroxyflavone > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside

Preferred term

quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C27H30O17

has_role

inchi

  • InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

inchikey

  • RDUAJIJVNHKTQC-UJECXLDQSA-N

is_conjugate_acid_of

mass

  • 626.51690

monoisotopicmass

  • 626.14830

smiles

  • OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

synonym RELATED

  • 2-(3,4-dihydroxyphenyl)-3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Baimaside
  • Quercetin 3-beta-D-sophoroside
  • Quercetin 3-O-sophoroside
  • QUOSP

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32082

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