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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > isoorientin 2''-[p-coumaroyl-(->6)-glucoside]
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > isoorientin 2''-[p-coumaroyl-(->6)-glucoside]
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > isoorientin 2''-[p-coumaroyl-(->6)-glucoside]

Preferred term

isoorientin 2''-[p-coumaroyl-(->6)-glucoside]  

Type

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

Broader concept

charge

  • 0

formula

  • C36H36O18

inchi

  • InChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+

inchikey

  • MWRFISCXYNYBKS-FPYGCLRLSA-N

mass

  • 756.666

monoisotopicmass

  • 756.19016

smiles

  • O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)CO)C5OC(C(O)C(O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6

subset

  • 2_STAR

synonym EXACT

  • [6-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191708

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