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Concept information

Preferred term

حلقه های ABC orobanchol  

Type

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

charge

  • 0

formula

  • C14H18O4

inchi

  • InChI=1S/C14H18O4/c1-14(2)5-3-4-7-10(14)12-9(11(7)16)8(6-15)13(17)18-12/h6,9,11-12,15-16H,3-5H2,1-2H3/b8-6+/t9-,11+,12-/m1/s1

inchikey

  • RRADQMRHCHUZBZ-BTRAOZKXSA-N

mass

  • 250.294

monoisotopicmass

  • 250.12051

smiles

  • [H][C@@]12OC(=O)/C(=C/O)[C@]1([H])[C@@H](O)C1=C2C(C)(C)CCC1

subset

  • 3_STAR

synonym EXACT

  • (3E,3aR,4R,8bR)-4-hydroxy-3-(hydroxymethylidene)-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydro-2H-indeno[1,2-b]furan-2-one
  • orobanchol ABC-rings

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:195257

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