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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''-dioxalylglucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > cyanidin 3-(6''-dioxalylglucoside)

Preferred term

cyanidin 3-(6''-dioxalylglucoside)  

Type

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

Broader concept

charge

  • +1

formula

  • C25H21O17

inchi

  • InChI=1S/C25H20O17/c26-9-4-12(28)10-6-15(20(39-14(10)5-9)8-1-2-11(27)13(29)3-8)40-25-19(32)18(31)17(30)16(41-25)7-38-23(36)24(37)42-22(35)21(33)34/h1-6,16-19,25,30-32H,7H2,(H4-,26,27,28,29,33,34,36,37)/p+1/t16?,17-,18+,19?,25-/m1/s1

inchikey

  • NVVPFBWPZCYUJK-FUARRJMFSA-O

mass

  • 593.425

monoisotopicmass

  • 593.07733

smiles

  • O1C([C@@H](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(OC(=O)C(O)=O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[2-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoacetyl]oxy-2-oxoacetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187574

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