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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic ether > petunidin 3-(6''-acetylglucoside)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > anthocyanin cation > petunidin 3-(6''-acetylglucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthocyanin cation > petunidin 3-(6''-acetylglucoside)
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > anthocyanin cation > petunidin 3-(6''-acetylglucoside)

Preferred term

petunidin 3-(6''-acetylglucoside)  

Type

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

Broader concept

charge

  • +1

formula

  • C24H25O13

inchi

  • InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18?,20-,21?,22?,24-/m1/s1

inchikey

  • GPUBWXUQPURXOQ-FUQWYEMFSA-O

mass

  • 521.450

monoisotopicmass

  • 521.12897

smiles

  • O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)COC(=O)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147427

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