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Content language

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Concept information

ترکیب اکسیژن ارگانیک > Squalestatin S8

Preferred term

Squalestatin S8  

Type

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

Broader concept

charge

  • 0

formula

  • C35H47NO13

has_functional_parent

inchi

  • InChI=1S/C35H47NO13/c1-6-20(2)16-21(3)12-13-26(38)47-28-27(39)33(48-29(30(40)41)34(46,31(42)43)35(28,49-33)32(44)45)15-14-25(19-36-23(5)37)18-22(4)17-24-10-8-7-9-11-24/h7-13,18,20-22,27-29,39,46H,6,14-17,19H2,1-5H3,(H,36,37)(H,40,41)(H,42,43)(H,44,45)/b13-12+,25-18+/t20-,21+,22?,27+,28+,29+,33-,34+,35-/m0/s1

inchikey

  • NDUZQRAFRVUUQZ-WXXHCKTGSA-N

mass

  • 689.755

monoisotopicmass

  • 689.30474

smiles

  • O=C(O[C@H]1[C@]2(O[C@@]([C@@H]1O)(O[C@@H]([C@@]2(O)C(=O)O)C(=O)O)CC/C(=C/C(CC3=CC=CC=C3)C)/CNC(=O)C)C(=O)O)/C=C/[C@H](C[C@H](CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3S,4S,5R,6R,7R)-1-[(E)-3-(acetamidomethyl)-5-methyl-6-phenylhex-3-enyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:205180

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