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Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

cyanidin 3-o-/{6-o-[6-o-(4-coumaroyl)-beta-d-glucosyl]-2-o-beta-d-xylosyl-beta-d-galactoside/}  

Type

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

charge

  • +1

formula

  • C41H45O22

has_functional_parent

inchi

  • InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1

inchikey

  • AVYXHYMPVRRQIG-AHMSEWCKSA-O

is_conjugate_acid_of

mass

  • 889.78280

monoisotopicmass

  • 889.23970

smiles

  • O[C@@H]1CO[C@@H](O[C@H]2[C@@H](O[C@H](CO[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H]2O)Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranoside

synonym RELATED

  • cyanidin 3-O-{6-O-[6-O-(4-coumaroyl)glucosyl]-2-O-xylosylgalactoside}

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:71499

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