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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 > 6,8-dihydroxykaempferol 3-rutinoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > 6,8-dihydroxykaempferol 3-rutinoside

Preferred term

6,8-dihydroxykaempferol 3-rutinoside  

Type

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

Broader concept

charge

  • 0

formula

  • C27H30O17

inchi

  • InChI=1S/C27H30O17/c1-7-12(29)16(33)21(38)26(41-7)40-6-10-13(30)17(34)22(39)27(42-10)44-25-15(32)11-14(31)18(35)19(36)20(37)24(11)43-23(25)8-2-4-9(28)5-3-8/h2-5,7,10,12-13,16-17,21-22,26-31,33-39H,6H2,1H3/t7?,10?,12-,13+,16-,17?,21?,22?,26+,27-/m0/s1

inchikey

  • QYGOLDXOFKERFE-HPFJSUSKSA-N

mass

  • 626.520

monoisotopicmass

  • 626.14830

smiles

  • O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C(O)=C(O)C3O)C4=CC=C(O)C=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C

subset

  • 2_STAR

synonym EXACT

  • 5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192860

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