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Concept information

Preferred term

Emefuran A  

Type

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

charge

  • 0

formula

  • C21H32O4

inchi

  • InChI=1S/C21H32O4/c1-4-5-6-7-18(23)19(24)12-20-21-15(9-8-14(2)3)10-11-17(22)16(21)13-25-20/h8,10-11,18-20,22-24H,4-7,9,12-13H2,1-3H3/t18-,19-,20-/m1/s1

inchikey

  • CDZGNGSWCSIISG-VAMGGRTRSA-N

mass

  • 348.483

monoisotopicmass

  • 348.23006

smiles

  • O1[C@@H](C=2C(=CC=C(C2C1)O)CC=C(C)C)C[C@@H](O)[C@H](O)CCCCC

subset

  • 2_STAR

synonym EXACT

  • (2R,3R)-1-[(1R)-4-hydroxy-7-(3-methylbut-2-enyl)-1,3-dihydro-2-benzouran-1-yl]octane-2,3-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225412

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