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Concept information

Preferred term

bisnorcholic acid  

Type

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

charge

  • 0

formula

  • C22H36O5

inchi

  • InChI=1S/C22H36O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1

inchikey

  • BBSJMECOWBMUCF-XPCRKILGSA-N

mass

  • 380.525

monoisotopicmass

  • 380.25627

smiles

  • [C@]12(CC[C@H](C[C@]2(C[C@H]([C@]3([C@]4([C@]([C@H](C[C@]13[H])O)([C@](CC4)([C@@H](C(=O)O)C)[H])C)[H])[H])O)[H])O)C

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aS)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145219

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