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

Preferred term

quercetin 3-(2''-p-coumarylglucoside)  

Type

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

Broader concept

charge

  • 0

formula

  • C30H26O14

inchi

  • InChI=1S/C30H26O14/c31-12-21-24(38)26(40)29(43-22(37)8-3-13-1-5-15(32)6-2-13)30(42-21)44-28-25(39)23-19(36)10-16(33)11-20(23)41-27(28)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,29-36,38,40H,12H2/b8-3+/t21?,24-,26?,29-,30+/m1/s1

inchikey

  • UVCBMXSJQAXKON-JJGGHGTDSA-N

mass

  • 610.524

monoisotopicmass

  • 610.13226

smiles

  • O1C([C@@H](O)C(O)[C@@H](OC(=O)/C=C/C2=CC=C(O)C=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,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187766

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