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Concept information

Preferred term

auriculine  

Type

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

charge

  • 0

formula

  • C31H45NO8

inchi

  • InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22-,24-,25-,26-,27+,28-,31+/m1/s1

inchikey

  • FQXZITIIHQHGBC-KRYJLITLSA-N

mass

  • 559.692

monoisotopicmass

  • 559.31452

smiles

  • CC(C)=CCc1cc(cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC[C@H]1CCN2CCC[C@H]12

subset

  • 2_STAR

synonym EXACT

  • Auriculine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2928

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