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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-(4-o-beta-d-glucosyl-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-(4-o-beta-d-glucosyl-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

  • C58H64O31

inchi

  • InChI=1S/C58H64O31/c1-77-34-13-24(14-35(78-2)43(34)68)6-12-41(66)88-53-42(67)31(64)21-80-57(53)89-54-49(74)46(71)39(22-79-40(65)11-5-23-3-8-27(9-4-23)81-55-50(75)47(72)44(69)37(19-59)85-55)87-58(54)84-36-18-28-32(82-52(36)25-7-10-29(62)30(63)15-25)16-26(61)17-33(28)83-56-51(76)48(73)45(70)38(20-60)86-56/h3-18,31,37-39,42,44-51,53-60,64,67,69-76H,19-22H2,1-2H3,(H3-,61,62,63,66,68)/b11-5+/t31-,37-,38-,39-,42+,44-,45-,46-,47+,48+,49+,50-,51-,53-,54-,55-,56-,57+,58-/m1/s1

inchikey

  • QPUCGPFRKWVURQ-LWSGIWERSA-N

mass

  • 1257.119

monoisotopicmass

  • 1256.34316

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[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)=O)C8=CC(=C(C=C8)O)O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO)[O-]

subset

  • 2_STAR

synonym RELATED

  • anthocyanin A10

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192529

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