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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > cyanidin 3-o-[6-o-(p-coumaroyl)-2-o-(2-o-sinapoyl-beta-d-xylosyl)-beta-d-glucosyl]-5-o-beta-d-glucoside

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C52H54O26

inchi

  • InChI=1S/C52H54O26/c1-68-33-13-23(14-34(69-2)41(33)62)6-12-39(60)77-48-40(61)30(58)20-71-51(48)78-49-45(66)43(64)37(21-70-38(59)11-5-22-3-8-25(54)9-4-22)76-52(49)74-35-18-27-31(72-47(35)24-7-10-28(56)29(57)15-24)16-26(55)17-32(27)73-50-46(67)44(65)42(63)36(19-53)75-50/h3-18,30,36-37,40,42-46,48-53,58,61,63-67H,19-21H2,1-2H3,(H4-,54,55,56,57,59,60,62)/t30-,36-,37-,40+,42-,43-,44+,45+,46-,48-,49-,50-,51+,52-/m1/s1

inchikey

  • ABJDYMVXHLYTHZ-JKXZSVHKSA-N

mass

  • 1094.978

monoisotopicmass

  • 1094.29033

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)OC(/C=C/C5=CC(=C(C(=C5)OC)O)OC)=O)O)O)COC(/C=C/C6=CC=C(C=C6)O)=O)C7=CC(=C(C=C7)O)O)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)[O-]

subset

  • 2_STAR

synonym RELATED

  • anthocyanin A7

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192542

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