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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 > pedaliin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > pedaliin

Preferred term

pedaliin  

Type

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

Broader concept

charge

  • 0

formula

  • C22H22O12

inchi

  • InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22+/m1/s1

inchikey

  • WLDSVYQTJXGHOT-GSVZXUNASA-N

mass

  • 478.406

monoisotopicmass

  • 478.11113

smiles

  • O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(O)=C3C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)=CC2OC)CO

subset

  • 2_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191737

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