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Concept information

Preferred term

cygnocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O5

inchi

  • InChI=1S/C24H40O5/c1-13(4-5-20(28)29)17-12-19(27)22-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17-,18-,19+,21+,22+,23+,24-/m1/s1

inchikey

  • KAOKDEFHEADBNL-BLLLHDCFSA-N

mass

  • 408.572

monoisotopicmass

  • 408.28757

smiles

  • [C@@]12([C@]3([C@@]([C@@]([C@@H](CCC(O)=O)C)(C[C@@H]3O)[H])(CC[C@@]1([C@@]4([C@@](C[C@H](O)CC4)(C[C@H]2O)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138876

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