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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 > kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside

Preferred term

kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside  

Type

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

Broader concept

charge

  • 0

formula

  • C36H36O18

inchi

  • InChI=1S/C36H36O18/c1-14-26(43)29(46)31(48)35(49-14)50-18-11-21(41)25-22(12-18)51-32(16-4-6-17(38)7-5-16)33(28(25)45)54-36-34(30(47)27(44)23(13-37)52-36)53-24(42)9-3-15-2-8-19(39)20(40)10-15/h2-12,14,23,26-27,29-31,34-41,43-44,46-48H,13H2,1H3/b9-3+/t14?,23?,26-,27+,29-,30?,31?,34?,35-,36-/m0/s1

inchikey

  • ZFDYOOWTGQKEHM-JIUTYWKKSA-N

mass

  • 756.666

monoisotopicmass

  • 756.19016

smiles

  • O1C([C@@H](O)C(O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H]1OC=3C(=O)C=4C(OC3C5=CC=C(O)C=C5)=CC(O[C@@H]6OC([C@H](O)[C@H](O)C6O)C)=CC4O)CO

subset

  • 2_STAR

synonym EXACT

  • [(2S,5S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168548

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