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Concept information

Preferred term

divergolide i  

Type

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

charge

  • 0

formula

  • C31H33NO8

inchi

  • InChI=1S/C31H33NO8/c1-6-17-7-9-19(33)24-23-18(14-16(4)27(24)36)28(37)26-25(29(23)38)31(5,12-11-22(35)32-26)30(39)40-21(10-8-17)20(34)13-15(2)3/h8,10-14,17,20-21,34,36H,6-7,9H2,1-5H3,(H,32,35)/b10-8+/t17-,20+,21+,31+/m1/s1

inchikey

  • JPEZCKKUWILCJX-AZHGDDGQSA-N

mass

  • 547.604

monoisotopicmass

  • 547.22062

smiles

  • O=C1O[C@@H](C=C[C@@H](CCC(C=2C=3C(C=4[C@@]1(C=CC(=O)NC4C(=O)C3C=C(C)C2O)C)=O)=O)CC)[C@@H](O)C=C(C)C

subset

  • 2_STAR

synonym EXACT

  • (9R,10E,12S,15R)-9-ethyl-4-hydroxy-12-[(1S)-1-hydroxy-3-methylbut-2-enyl]-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone
  • (9R,10E,12S,15S)-9-ethyl-4-hydroxy-12-[(1S)-1-hydroxy-3-methylbut-2-enyl]-3,15-dimethyl-13-oxa-19-azatetracyclo[18.3.1.05,23.015,21]tetracosa-1(23),2,4,10,16,20-hexaene-6,14,18,22,24-pentone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218096

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