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Concept information

Preferred term

jbir-85  

Type

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

Broader concept

charge

  • 0

formula

  • C22H20O10

has_role

inchi

  • InChI=1S/C22H20O10/c1-7(23)8-4-11-9-6-21(8)15(19(28)22(9,31-3)20(29)32-11)17(26)13-10(24)5-12(30-2)16(25)14(13)18(21)27/h5,8-9,11,24-25,28H,4,6H2,1-3H3/t8-,9-,11+,21-,22-/m0/s1

inchikey

  • WMHYXAXGNZAMDO-AHIRLFQDSA-N

mass

  • 444.38820

monoisotopicmass

  • 444.10565

smiles

  • [H][C@@]12C[C@@H](C(C)=O)[C@@]34C[C@]1([H])[C@@](OC)(C(=O)O2)C(O)=C3C(=O)c1c(O)cc(OC)c(O)c1C4=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69185

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