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Concept information

Preferred term

emeridone b  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34O6

inchi

  • InChI=1S/C27H34O6/c1-7-31-20(30)16-12-22(4)14-25-11-8-17-21(2,3)18(28)9-10-23(17,5)27(25)32-15-26(16,25)24(6,33-27)13-19(22)29/h9-10,12,17H,7-8,11,13-15H2,1-6H3/t17-,22+,23-,24-,25+,26+,27+/m0/s1

inchikey

  • WZXLBHHJLSHJCF-WFECAKBMSA-N

mass

  • 454.563

monoisotopicmass

  • 454.23554

smiles

  • O=C1[C@@]2(C=C(C(=O)OCC)[C@]34[C@](C1)(O[C@]5([C@@]3(C2)CC[C@@H]6[C@@]5(C=CC(=O)C6(C)C)C)OC4)C)C

subset

  • 2_STAR

synonym EXACT

  • ethyl (1R,2R,5S,10S,11R,13S,16S)-6,6,10,13,16-pentamethyl-7,15-dioxo-12,20-dioxahexacyclo[9.7.2.12,16.01,13.02,11.05,10]henicosa-8,17-diene-18-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225876

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