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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 7-(6''-galloylglucoside)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > quercetin 7-(6''-galloylglucoside)

Preferred term

quercetin 7-(6''-galloylglucoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C28H24O16

inchi

  • InChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2/t18?,21-,23+,25?,28-/m1/s1

inchikey

  • USBMLXYFQKQZDJ-AGNSAZIMSA-N

mass

  • 616.484

monoisotopicmass

  • 616.10643

smiles

  • O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186472

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