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Chemistry, part 1

Content language

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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 molecule > dipolar compound > zwitterion > onium betaine > oxonium betaine > cyanidin 3-o-(2-o-beta-d-glucuronosyl)-beta-d-glucoside betaine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > onium betaine > oxonium betaine > cyanidin 3-o-(2-o-beta-d-glucuronosyl)-beta-d-glucoside betaine

Preferred term

cyanidin 3-o-(2-o-beta-d-glucuronosyl)-beta-d-glucoside betaine  

Type

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

Broader concept

charge

  • 0

formula

  • C27H28O17

has_functional_parent

inchi

  • InChI=1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1

inchikey

  • QLKOQFLYESIQLL-ZJNQYPEASA-N

is_conjugate_acid_of

is_conjugate_base_of

mass

  • 624.50100

monoisotopicmass

  • 624.13265

smiles

  • OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C([O-])=O)[C@@H](O)[C@@H]1O

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61317

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