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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > cyanidin 3-(6''-(e)-caffeylsambubioside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > cyanidin 3-(6''-(e)-caffeylsambubioside)

Preferred term

cyanidin 3-(6''-(e)-caffeylsambubioside)  

Type

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

Broader concept

charge

  • +1

formula

  • C35H35O18

inchi

  • InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/p+1/t23-,26?,28?,29-,30?,31-,33?,34+,35-/m1/s1

inchikey

  • XGQPXBKBCOHIQI-XSXUGFHCSA-O

mass

  • 743.646

monoisotopicmass

  • 743.18179

smiles

  • O(C1C(O)[C@H](O)C(O[C@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)/C=C/C5=CC(O)=C(O)C=C5)[C@@H]6OC[C@@H](O)C(O)[C@H]6O

subset

  • 2_STAR

synonym EXACT

  • [(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4-dihydroxy-5-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192421

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