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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > cichorioside j

Preferred term

cichorioside j  

Type

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

Broader concept

charge

  • 0

formula

  • C22H28O10

inchi

  • InChI=1S/C22H28O10/c1-10-2-3-13-15(10)22-12(4-6-21(13,28)9-30-22)11(19(27)32-22)5-7-29-20-18(26)17(25)16(24)14(8-23)31-20/h4,6,13-18,20,23-26,28H,1-3,5,7-9H2/t13-,14+,15+,16+,17-,18+,20+,21-,22-/m0/s1

inchikey

  • PIBJAPSKIWUIOI-ZBVAOOHKSA-N

mass

  • 452.456

monoisotopicmass

  • 452.16825

smiles

  • O1[C@]23OC(=O)C(=C2C=C[C@@](O)([C@@H]4[C@H]3C(CC4)=C)C1)CCO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO

subset

  • 2_STAR

synonym EXACT

  • (1R,8R,9S,13S)-8-hydroxy-12-methylidene-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,14-dioxatetracyclo[6.5.2.01,5.09,13]pentadeca-4,6-dien-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230409

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