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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > cyanidin 3-o-beta-d-glucoside betaine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > dipolar compound > zwitterion > onium betaine > oxonium betaine > cyanidin 3-o-beta-d-glucoside betaine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > onium betaine > oxonium betaine > cyanidin 3-o-beta-d-glucoside betaine

Preferred term

cyanidin 3-o-beta-d-glucoside betaine  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20O11

inchi

  • InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1

inchikey

  • RKWHWFONKJEUEF-GQUPQBGVSA-N

is_conjugate_acid_of

is_conjugate_base_of

mass

  • 448.37690

monoisotopicmass

  • 448.10056

smiles

  • OC[C@H]1O[C@@H](Oc2cc3c([O-])cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenium-5-olate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61318

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