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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 > quercetin 3-(2''-galloylgalactoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > quercetin 3-(2''-galloylgalactoside)

Preferred term

quercetin 3-(2''-galloylgalactoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C28H24O16

inchi

  • InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18?,21-,23?,26+,28-/m0/s1

inchikey

  • PXGWEUQZDRUMRE-RFMYBEOGSA-N

mass

  • 616.484

monoisotopicmass

  • 616.10643

smiles

  • O1C([C@H](O)C(O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192964

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