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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-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 > carboxylic acid anion > carbohydrate acid derivative anion > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)

Preferred term

cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(beta-d-xylosyl)-beta-d-glucosyl]-5-o-(6-o-malonyl-beta-d-glucoside)(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C44H45O25

inchi

  • InChI=1S/C44H46O25/c45-19-5-1-17(2-6-19)3-8-31(52)61-15-29-35(56)37(58)41(69-42-38(59)33(54)24(49)14-63-42)44(68-29)66-27-12-21-25(64-40(27)18-4-7-22(47)23(48)9-18)10-20(46)11-26(21)65-43-39(60)36(57)34(55)28(67-43)16-62-32(53)13-30(50)51/h1-12,24,28-29,33-39,41-44,49,54-60H,13-16H2,(H4-,45,46,47,48,50,51,52)/p-1/t24-,28-,29-,33+,34-,35-,36+,37+,38-,39-,41-,42+,43-,44-/m1/s1

inchikey

  • JKGXHHXZZLNEGD-XINMMMEUSA-M

mass

  • 973.820

monoisotopicmass

  • 973.22554

smiles

  • C1=C(C=C(C2=C1[O+]=C(C(=C2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)COC(/C=C/C5=CC=C(C=C5)O)=O)C6=CC(=C(C=C6)O)O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)COC(CC([O-])=O)=O)[O-]

subset

  • 2_STAR

synonym RELATED

  • anthocyanin A5

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192537

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