skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > flavonoid oxoanion > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > flavonoid oxoanion > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > flavonoid oxoanion > quercetin 3-o-beta-d-glucosyl-(1->2)-beta-d-glucoside(1-)

Preferred term

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

Type

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

Broader concept

charge

  • -1

formula

  • C27H29O17

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/p-1/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1

inchikey

  • RDUAJIJVNHKTQC-UJECXLDQSA-M

is_conjugate_base_of

mass

  • 625.513

monoisotopicmass

  • 625.14102

smiles

  • C1=C(C=C(C2=C1OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=C(C(=C5)O)O)O)[O-]

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4-oxo-4H-chromen-7-olate

synonym RELATED

  • quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:144438

Download this concept:

RDF/XML TURTLE JSON-LD