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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic ether > malvidin 3-o-(6-o-acetyl-beta-d-glucoside)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > malvidin 3-o-(6-o-acetyl-beta-d-glucoside)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanin cation > malvidin 3-o-(6-o-acetyl-beta-d-glucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanin cation > malvidin 3-o-(6-o-acetyl-beta-d-glucoside)
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > anthocyanin cation > malvidin 3-o-(6-o-acetyl-beta-d-glucoside)

Preferred term

malvidin 3-o-(6-o-acetyl-beta-d-glucoside)  

Type

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

Broader concept

charge

  • +1

formula

  • C25H27O13

has_functional_parent

has_role

inchi

  • InChI=1S/C25H26O13/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29)/p+1/t19-,21-,22+,23-,25-/m1/s1

inchikey

  • WGYWEDJQQFKGID-FGBFUVBKSA-O

mass

  • 535.47410

monoisotopicmass

  • 535.14462

smiles

  • COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl 6-O-acetyl-beta-D-glucopyranoside

synonym RELATED

  • Malvidin 3-(6''-acetylglucoside)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75689

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