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

Preferred term

quercetin 7-(6''-tiglylglucoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C26H26O13

inchi

  • InChI=1S/C26H26O13/c1-3-10(2)25(35)36-9-17-19(30)21(32)23(34)26(39-17)37-12-7-15(29)18-16(8-12)38-24(22(33)20(18)31)11-4-5-13(27)14(28)6-11/h3-8,17,19,21,23,26-30,32-34H,9H2,1-2H3/b10-3+/t17?,19-,21+,23?,26-/m1/s1

inchikey

  • AMTJHZIQBTUFSJ-WUOADIQLSA-N

mass

  • 546.481

monoisotopicmass

  • 546.13734

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)/C(/C)=C/C

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 (E)-2-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186012

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