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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-(glucosyl-(1->4)-rhamnoside) 7-rutinoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside

Preferred term

quercetin 3-(glucosyl-(1->4)-rhamnoside) 7-rutinoside  

Type

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

Broader concept

charge

  • 0

formula

  • C39H50O25

inchi

  • InChI=1S/C39H50O25/c1-10-21(44)25(48)29(52)36(57-10)56-9-19-23(46)27(50)30(53)38(62-19)59-13-6-16(43)20-17(7-13)60-34(12-3-4-14(41)15(42)5-12)35(24(20)47)64-37-32(55)28(51)33(11(2)58-37)63-39-31(54)26(49)22(45)18(8-40)61-39/h3-7,10-11,18-19,21-23,25-33,36-46,48-55H,8-9H2,1-2H3

inchikey

  • QLLBJLPRDZPFEQ-UHFFFAOYSA-N

mass

  • 918.804

monoisotopicmass

  • 918.26412

smiles

  • O(C1C(O)C(O)C(OC1C)OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)COC6OC(C(O)C(O)C6O)C)=CC3O)C7OC(C(O)C(O)C7O)CO

subset

  • 2_STAR

synonym EXACT

  • 3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(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:180893

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