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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > phenolate anion > 3''-oxopuerarin(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > phenolate anion > 3''-oxopuerarin(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > phenolate anion > 3''-oxopuerarin(1-)

Preferred term

3''-oxopuerarin(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C21H17O9

has_functional_parent

inchi

  • InChI=1S/C21H18O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17,19,21-24,26,28H,7H2/p-1/t14-,17-,19-,21+/m1/s1

inchikey

  • LLPCWHBATNIIFS-QTRJSKNGSA-M

mass

  • 413.359

monoisotopicmass

  • 413.08781

smiles

  • [C@H]1(C=2C3=C(C(C(C4=CC=C(O)C=C4)=CO3)=O)C=CC2[O-])[C@@H](C([C@H](O)[C@@H](CO)O1)=O)O

subset

  • 2_STAR

synonym RELATED

  • 3''-dehydropuerarin
  • 3'-dehydropuerarin
  • 3''-oxo-puerarin
  • 3''-oxopuerarin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229571

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